ethane;(E)-1-fluoroprop-1-ene;5-methyl-2-[(E)-3-methylpent-1-enyl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one;propane

C22H39FN2O — CID 142948393

IUPACethane;(E)-1-fluoroprop-1-ene;5-methyl-2-[(E)-3-methylpent-1-enyl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one;propane
SMILESC/C=C/F.CC.CCC.CCC(C)/C=C/c1nc2c(c(=O)[nH]1)C(C)CC2
InChIInChI=1S/C14H20N2O.C3H5F.C3H8.C2H6/c1-4-9(2)5-8-12-15-11-7-6-10(3)13(11)14(17)16-12;1-2-3-4;1-3-2;1-2/h5,8-10H,4,6-7H2,1-3H3,(H,15,16,17);2-3H,1H3;3H2,1-2H3;1-2H3/b8-5+;3-2+;;
InChIKeyGOAABNORJGUFPF-HYYBNLCCSA-N
MW366.57 g/mol
LogP6.81
Rot. Bonds3

About ethane;(E)-1-fluoroprop-1-ene;5-methyl-2-[(E)-3-methylpent-1-enyl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one;propane

ethane;(E)-1-fluoroprop-1-ene;5-methyl-2-[(E)-3-methylpent-1-enyl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one;propane (PubChem CID 142948393) has the molecular formula C22H39FN2O and a molecular weight of 366.57 g/mol. Its IUPAC name is ethane;(E)-1-fluoroprop-1-ene;5-methyl-2-[(E)-3-methylpent-1-enyl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one;propane.

Molecular Properties

Compound Nameethane;(E)-1-fluoroprop-1-ene;5-methyl-2-[(E)-3-methylpent-1-enyl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one;propane
PubChem CID142948393
Molecular FormulaC22H39FN2O
Molecular Weight366.57 g/mol
Exact Mass366.30
IUPAC Nameethane;(E)-1-fluoroprop-1-ene;5-methyl-2-[(E)-3-methylpent-1-enyl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one;propane
SMILESC/C=C/F.CC.CCC.CCC(C)/C=C/c1nc2c(c(=O)[nH]1)C(C)CC2
InChIInChI=1S/C14H20N2O.C3H5F.C3H8.C2H6/c1-4-9(2)5-8-12-15-11-7-6-10(3)13(11)14(17)16-12;1-2-3-4;1-3-2;1-2/h5,8-10H,4,6-7H2,1-3H3,(H,15,16,17);2-3H,1H3;3H2,1-2H3;1-2H3/b8-5+;3-2+;;
InChIKeyGOAABNORJGUFPF-HYYBNLCCSA-N
XLogP6.81
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.57
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;(E)-1-fluoroprop-1-ene;5-methyl-2-[(E)-3-methylpent-1-enyl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one;propane with MolForge

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Related Compounds

5-Fluoro-6-methyl-2-propan-2-yl-3,5,6,7-tetrahydrocyclohepta[d]pyrimidin-4-one
CID 144566938
2,6-Dimethyl-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
CID 136183453
2,5-Dimethyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136253056
(7R)-2,7-dimethyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137002107
5-fluoro-6-methyl-2-propan-2-yl-3,5,6,7-tetrahydrocyclohepta[d]pyrimidin-4-one;methane;N-methylethanamine
CID 144566937
2,6-Dimethyl-5-(3-methylbutyl)pyrimidin-4(3h)-one
CID 135713904
2-Butan-2-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136035538
2-Pentan-3-yl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136035539
2-(3-Methylbutyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136104567
(6R)-2,6-dimethyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136164325
(6S)-2,6-dimethyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136164327
2-(2-Methylpropyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136209771

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-1-fluoroprop-1-ene;5-methyl-2-[(E)-3-methylpent-1-enyl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one;propane?
The IUPAC name of ethane;(E)-1-fluoroprop-1-ene;5-methyl-2-[(E)-3-methylpent-1-enyl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one;propane (CID 142948393) is ethane;(E)-1-fluoroprop-1-ene;5-methyl-2-[(E)-3-methylpent-1-enyl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one;propane.
What is the SMILES notation for ethane;(E)-1-fluoroprop-1-ene;5-methyl-2-[(E)-3-methylpent-1-enyl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one;propane?
The canonical SMILES for ethane;(E)-1-fluoroprop-1-ene;5-methyl-2-[(E)-3-methylpent-1-enyl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one;propane is C/C=C/F.CC.CCC.CCC(C)/C=C/c1nc2c(c(=O)[nH]1)C(C)CC2.
What is the InChIKey of ethane;(E)-1-fluoroprop-1-ene;5-methyl-2-[(E)-3-methylpent-1-enyl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one;propane?
The InChIKey is GOAABNORJGUFPF-HYYBNLCCSA-N. The full InChI is InChI=1S/C14H20N2O.C3H5F.C3H8.C2H6/c1-4-9(2)5-8-12-15-11-7-6-10(3)13(11)14(17)16-12;1-2-3-4;1-3-2;1-2/h5,8-10H,4,6-7H2,1-3H3,(H,15,16,17);2-3H,1H3;3H2,1-2H3;1-2H3/b8-5+;3-2+;;.
What are the key properties of ethane;(E)-1-fluoroprop-1-ene;5-methyl-2-[(E)-3-methylpent-1-enyl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one;propane?
ethane;(E)-1-fluoroprop-1-ene;5-methyl-2-[(E)-3-methylpent-1-enyl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one;propane has a molecular weight of 366.57 g/mol, XLogP of 6.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-1-fluoroprop-1-ene;5-methyl-2-[(E)-3-methylpent-1-enyl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one;propane is sourced from PubChem (CID 142948393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).