2-(cyclopentylmethyl)-N-propan-2-ylhex-5-enamide

C15H27NO — CID 21366303

IUPAC2-(cyclopentylmethyl)-N-propan-2-ylhex-5-enamide
SMILESC=CCCC(CC1CCCC1)C(=O)NC(C)C
InChIInChI=1S/C15H27NO/c1-4-5-10-14(15(17)16-12(2)3)11-13-8-6-7-9-13/h4,12-14H,1,5-11H2,2-3H3,(H,16,17)
InChIKeyPGVOLGVAJVHXOK-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.67
Rot. Bonds7

About 2-(cyclopentylmethyl)-N-propan-2-ylhex-5-enamide

2-(cyclopentylmethyl)-N-propan-2-ylhex-5-enamide (PubChem CID 21366303) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-N-propan-2-ylhex-5-enamide.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-N-propan-2-ylhex-5-enamide
PubChem CID21366303
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-(cyclopentylmethyl)-N-propan-2-ylhex-5-enamide
SMILESC=CCCC(CC1CCCC1)C(=O)NC(C)C
InChIInChI=1S/C15H27NO/c1-4-5-10-14(15(17)16-12(2)3)11-13-8-6-7-9-13/h4,12-14H,1,5-11H2,2-3H3,(H,16,17)
InChIKeyPGVOLGVAJVHXOK-UHFFFAOYSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-N-propan-2-ylhex-5-enamide?
The IUPAC name of 2-(cyclopentylmethyl)-N-propan-2-ylhex-5-enamide (CID 21366303) is 2-(cyclopentylmethyl)-N-propan-2-ylhex-5-enamide.
What is the SMILES notation for 2-(cyclopentylmethyl)-N-propan-2-ylhex-5-enamide?
The canonical SMILES for 2-(cyclopentylmethyl)-N-propan-2-ylhex-5-enamide is C=CCCC(CC1CCCC1)C(=O)NC(C)C.
What is the InChIKey of 2-(cyclopentylmethyl)-N-propan-2-ylhex-5-enamide?
The InChIKey is PGVOLGVAJVHXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-4-5-10-14(15(17)16-12(2)3)11-13-8-6-7-9-13/h4,12-14H,1,5-11H2,2-3H3,(H,16,17).
What are the key properties of 2-(cyclopentylmethyl)-N-propan-2-ylhex-5-enamide?
2-(cyclopentylmethyl)-N-propan-2-ylhex-5-enamide has a molecular weight of 237.39 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-N-propan-2-ylhex-5-enamide is sourced from PubChem (CID 21366303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).