N-pentan-2-ylcyclopenta-1,3-diene-1-carboxamide

C11H17NO — CID 88990170

IUPACN-pentan-2-ylcyclopenta-1,3-diene-1-carboxamide
SMILESCCCC(C)NC(=O)C1=CC=CC1
InChIInChI=1S/C11H17NO/c1-3-6-9(2)12-11(13)10-7-4-5-8-10/h4-5,7,9H,3,6,8H2,1-2H3,(H,12,13)
InChIKeyCWTALCRWZVOIRQ-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.18
Rot. Bonds4

About N-pentan-2-ylcyclopenta-1,3-diene-1-carboxamide

N-pentan-2-ylcyclopenta-1,3-diene-1-carboxamide (PubChem CID 88990170) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-pentan-2-ylcyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-pentan-2-ylcyclopenta-1,3-diene-1-carboxamide
PubChem CID88990170
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-pentan-2-ylcyclopenta-1,3-diene-1-carboxamide
SMILESCCCC(C)NC(=O)C1=CC=CC1
InChIInChI=1S/C11H17NO/c1-3-6-9(2)12-11(13)10-7-4-5-8-10/h4-5,7,9H,3,6,8H2,1-2H3,(H,12,13)
InChIKeyCWTALCRWZVOIRQ-UHFFFAOYSA-N
XLogP2.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-pentan-2-ylcyclopenta-1,3-diene-1-carboxamide?
The IUPAC name of N-pentan-2-ylcyclopenta-1,3-diene-1-carboxamide (CID 88990170) is N-pentan-2-ylcyclopenta-1,3-diene-1-carboxamide.
What is the SMILES notation for N-pentan-2-ylcyclopenta-1,3-diene-1-carboxamide?
The canonical SMILES for N-pentan-2-ylcyclopenta-1,3-diene-1-carboxamide is CCCC(C)NC(=O)C1=CC=CC1.
What is the InChIKey of N-pentan-2-ylcyclopenta-1,3-diene-1-carboxamide?
The InChIKey is CWTALCRWZVOIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-6-9(2)12-11(13)10-7-4-5-8-10/h4-5,7,9H,3,6,8H2,1-2H3,(H,12,13).
What are the key properties of N-pentan-2-ylcyclopenta-1,3-diene-1-carboxamide?
N-pentan-2-ylcyclopenta-1,3-diene-1-carboxamide has a molecular weight of 179.26 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-ylcyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 88990170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).