ethane;4-methyl-2,5-dihydro-1H-pyridin-6-one;propane

C11H23NO — CID 143335324

IUPACethane;4-methyl-2,5-dihydro-1H-pyridin-6-one;propane
SMILESCC.CC1=CCNC(=O)C1.CCC
InChIInChI=1S/C6H9NO.C3H8.C2H6/c1-5-2-3-7-6(8)4-5;1-3-2;1-2/h2H,3-4H2,1H3,(H,7,8);3H2,1-2H3;1-2H3
InChIKeyPHVPVBQHTSQREM-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.90
Rot. Bonds

About ethane;4-methyl-2,5-dihydro-1H-pyridin-6-one;propane

ethane;4-methyl-2,5-dihydro-1H-pyridin-6-one;propane (PubChem CID 143335324) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is ethane;4-methyl-2,5-dihydro-1H-pyridin-6-one;propane.

Molecular Properties

Compound Nameethane;4-methyl-2,5-dihydro-1H-pyridin-6-one;propane
PubChem CID143335324
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Nameethane;4-methyl-2,5-dihydro-1H-pyridin-6-one;propane
SMILESCC.CC1=CCNC(=O)C1.CCC
InChIInChI=1S/C6H9NO.C3H8.C2H6/c1-5-2-3-7-6(8)4-5;1-3-2;1-2/h2H,3-4H2,1H3,(H,7,8);3H2,1-2H3;1-2H3
InChIKeyPHVPVBQHTSQREM-UHFFFAOYSA-N
XLogP2.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 67480004
2,4-dihydro-1H-isoquinolin-3-one;ethane;methane
CID 158727662
3,4-dimethyl-2,5-dihydro-1H-pyridin-6-one
CID 55287523
aziridin-2-one
CID 158991665
3-ethyl-2,5-dihydro-1H-pyridin-6-one
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(4Z,9E)-8-methoxy-4-methyl-1-azacyclotetradeca-4,9-dien-2-one
CID 144515567
5-methyl-1,1-dioxo-4H-thiazin-3-one
CID 129064399
(3Z,5Z)-5-methyl-1,2,7,8-tetrahydroazonin-9-one
CID 145486862
piperazin-2-one;propane
CID 143025708
(5R)-5-ethylpiperidine-2,4-dione
CID 86318642
2-methyl-7,8-dihydro-5H-1,7-naphthyridin-6-one
CID 130250553

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-2,5-dihydro-1H-pyridin-6-one;propane?
The IUPAC name of ethane;4-methyl-2,5-dihydro-1H-pyridin-6-one;propane (CID 143335324) is ethane;4-methyl-2,5-dihydro-1H-pyridin-6-one;propane.
What is the SMILES notation for ethane;4-methyl-2,5-dihydro-1H-pyridin-6-one;propane?
The canonical SMILES for ethane;4-methyl-2,5-dihydro-1H-pyridin-6-one;propane is CC.CC1=CCNC(=O)C1.CCC.
What is the InChIKey of ethane;4-methyl-2,5-dihydro-1H-pyridin-6-one;propane?
The InChIKey is PHVPVBQHTSQREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C3H8.C2H6/c1-5-2-3-7-6(8)4-5;1-3-2;1-2/h2H,3-4H2,1H3,(H,7,8);3H2,1-2H3;1-2H3.
What are the key properties of ethane;4-methyl-2,5-dihydro-1H-pyridin-6-one;propane?
ethane;4-methyl-2,5-dihydro-1H-pyridin-6-one;propane has a molecular weight of 185.31 g/mol, XLogP of 2.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-2,5-dihydro-1H-pyridin-6-one;propane is sourced from PubChem (CID 143335324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).