2-methyl-3,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidin-4-one

C8H12N2O — CID 118055350

IUPAC2-methyl-3,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidin-4-one
SMILESCC1=NC2CCCC2C(=O)N1
InChIInChI=1S/C8H12N2O/c1-5-9-7-4-2-3-6(7)8(11)10-5/h6-7H,2-4H2,1H3,(H,9,10,11)
InChIKeyRJDQONSBSBUYCF-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.70
Rot. Bonds

About 2-methyl-3,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidin-4-one

2-methyl-3,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 118055350) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-methyl-3,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-3,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidin-4-one
PubChem CID118055350
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-methyl-3,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidin-4-one
SMILESCC1=NC2CCCC2C(=O)N1
InChIInChI=1S/C8H12N2O/c1-5-9-7-4-2-3-6(7)8(11)10-5/h6-7H,2-4H2,1H3,(H,9,10,11)
InChIKeyRJDQONSBSBUYCF-UHFFFAOYSA-N
XLogP0.70
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4a,5,6,7,8,8a-hexahydro-3H-quinazolin-4-one
CID 59652331
(4aR,7aS)-2-propan-2-yl-3,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidin-4-one
CID 90089642
2-Iodo-3,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidin-4-one
CID 135208147
CID 145471686
CID 145471686
CID 145471687
CID 145471687
8-Methyl-7,9-diazaspiro[4.5]dec-7-en-10-one
CID 55265202
5-Butan-2-yl-3-propan-2-yl-3a,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 76848789
5-(2-Methylpropyl)-3-propan-2-yl-3a,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 76848793
3-Propan-2-yl-5-propyl-3a,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 76848795
5-(2-Methylbutyl)-3-(2-methylpropyl)-3a,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 76848804
5-(3-Methylbutyl)-3-propan-2-yl-3a,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 76848805
5-Methyl-3-propan-2-yl-3a,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 76848807

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-methyl-3,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidin-4-one (CID 118055350) is 2-methyl-3,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-3,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-3,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidin-4-one is CC1=NC2CCCC2C(=O)N1.
What is the InChIKey of 2-methyl-3,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is RJDQONSBSBUYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-5-9-7-4-2-3-6(7)8(11)10-5/h6-7H,2-4H2,1H3,(H,9,10,11).
What are the key properties of 2-methyl-3,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidin-4-one?
2-methyl-3,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 152.20 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 118055350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).