4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide

C16H24N2O2 — CID 170364011

IUPAC4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide
SMILESC=C1C=CC(=O)N1CC1CCC(C(=O)NC(C)C)CC1
InChIInChI=1S/C16H24N2O2/c1-11(2)17-16(20)14-7-5-13(6-8-14)10-18-12(3)4-9-15(18)19/h4,9,11,13-14H,3,5-8,10H2,1-2H3,(H,17,20)
InChIKeyLTIIUXKQGATKEN-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.23
Rot. Bonds4

About 4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide

4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 170364011) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID170364011
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide
SMILESC=C1C=CC(=O)N1CC1CCC(C(=O)NC(C)C)CC1
InChIInChI=1S/C16H24N2O2/c1-11(2)17-16(20)14-7-5-13(6-8-14)10-18-12(3)4-9-15(18)19/h4,9,11,13-14H,3,5-8,10H2,1-2H3,(H,17,20)
InChIKeyLTIIUXKQGATKEN-UHFFFAOYSA-N
XLogP2.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide (CID 170364011) is 4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide is C=C1C=CC(=O)N1CC1CCC(C(=O)NC(C)C)CC1.
What is the InChIKey of 4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is LTIIUXKQGATKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(2)17-16(20)14-7-5-13(6-8-14)10-18-12(3)4-9-15(18)19/h4,9,11,13-14H,3,5-8,10H2,1-2H3,(H,17,20).
What are the key properties of 4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide?
4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 170364011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).