1-[(4-acetylcyclohexyl)methyl]-5-methylidenepyrrol-2-one;ethane

C16H25NO2 — CID 144604077

IUPAC1-[(4-acetylcyclohexyl)methyl]-5-methylidenepyrrol-2-one;ethane
SMILESC=C1C=CC(=O)N1CC1CCC(C(C)=O)CC1.CC
InChIInChI=1S/C14H19NO2.C2H6/c1-10-3-8-14(17)15(10)9-12-4-6-13(7-5-12)11(2)16;1-2/h3,8,12-13H,1,4-7,9H2,2H3;1-2H3
InChIKeyNAPJPKAHOIYNTH-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.32
Rot. Bonds3

About 1-[(4-acetylcyclohexyl)methyl]-5-methylidenepyrrol-2-one;ethane

1-[(4-acetylcyclohexyl)methyl]-5-methylidenepyrrol-2-one;ethane (PubChem CID 144604077) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[(4-acetylcyclohexyl)methyl]-5-methylidenepyrrol-2-one;ethane.

Molecular Properties

Compound Name1-[(4-acetylcyclohexyl)methyl]-5-methylidenepyrrol-2-one;ethane
PubChem CID144604077
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[(4-acetylcyclohexyl)methyl]-5-methylidenepyrrol-2-one;ethane
SMILESC=C1C=CC(=O)N1CC1CCC(C(C)=O)CC1.CC
InChIInChI=1S/C14H19NO2.C2H6/c1-10-3-8-14(17)15(10)9-12-4-6-13(7-5-12)11(2)16;1-2/h3,8,12-13H,1,4-7,9H2,2H3;1-2H3
InChIKeyNAPJPKAHOIYNTH-UHFFFAOYSA-N
XLogP3.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-acetylcyclohexyl)methyl]-5-methylidenepyrrol-2-one;ethane?
The IUPAC name of 1-[(4-acetylcyclohexyl)methyl]-5-methylidenepyrrol-2-one;ethane (CID 144604077) is 1-[(4-acetylcyclohexyl)methyl]-5-methylidenepyrrol-2-one;ethane.
What is the SMILES notation for 1-[(4-acetylcyclohexyl)methyl]-5-methylidenepyrrol-2-one;ethane?
The canonical SMILES for 1-[(4-acetylcyclohexyl)methyl]-5-methylidenepyrrol-2-one;ethane is C=C1C=CC(=O)N1CC1CCC(C(C)=O)CC1.CC.
What is the InChIKey of 1-[(4-acetylcyclohexyl)methyl]-5-methylidenepyrrol-2-one;ethane?
The InChIKey is NAPJPKAHOIYNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2.C2H6/c1-10-3-8-14(17)15(10)9-12-4-6-13(7-5-12)11(2)16;1-2/h3,8,12-13H,1,4-7,9H2,2H3;1-2H3.
What are the key properties of 1-[(4-acetylcyclohexyl)methyl]-5-methylidenepyrrol-2-one;ethane?
1-[(4-acetylcyclohexyl)methyl]-5-methylidenepyrrol-2-one;ethane has a molecular weight of 263.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-acetylcyclohexyl)methyl]-5-methylidenepyrrol-2-one;ethane is sourced from PubChem (CID 144604077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).