N-methylcyclopenta-2,4-diene-1-carboxamide

C7H9NO — CID 15393740

IUPACN-methylcyclopenta-2,4-diene-1-carboxamide
SMILESCNC(=O)C1C=CC=C1
InChIInChI=1S/C7H9NO/c1-8-7(9)6-4-2-3-5-6/h2-6H,1H3,(H,8,9)
InChIKeyURYDMNZNWBGULB-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.47
Rot. Bonds1

About N-methylcyclopenta-2,4-diene-1-carboxamide

N-methylcyclopenta-2,4-diene-1-carboxamide (PubChem CID 15393740) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is N-methylcyclopenta-2,4-diene-1-carboxamide.

Molecular Properties

Compound NameN-methylcyclopenta-2,4-diene-1-carboxamide
PubChem CID15393740
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC NameN-methylcyclopenta-2,4-diene-1-carboxamide
SMILESCNC(=O)C1C=CC=C1
InChIInChI=1S/C7H9NO/c1-8-7(9)6-4-2-3-5-6/h2-6H,1H3,(H,8,9)
InChIKeyURYDMNZNWBGULB-UHFFFAOYSA-N
XLogP0.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methylcyclopenta-2,4-diene-1-carboxamide?
The IUPAC name of N-methylcyclopenta-2,4-diene-1-carboxamide (CID 15393740) is N-methylcyclopenta-2,4-diene-1-carboxamide.
What is the SMILES notation for N-methylcyclopenta-2,4-diene-1-carboxamide?
The canonical SMILES for N-methylcyclopenta-2,4-diene-1-carboxamide is CNC(=O)C1C=CC=C1.
What is the InChIKey of N-methylcyclopenta-2,4-diene-1-carboxamide?
The InChIKey is URYDMNZNWBGULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-8-7(9)6-4-2-3-5-6/h2-6H,1H3,(H,8,9).
What are the key properties of N-methylcyclopenta-2,4-diene-1-carboxamide?
N-methylcyclopenta-2,4-diene-1-carboxamide has a molecular weight of 123.15 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylcyclopenta-2,4-diene-1-carboxamide is sourced from PubChem (CID 15393740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).