(E)-2-(cyclopentylmethyl)-N-propan-2-ylhex-4-enamide

C15H27NO — CID 21366302

IUPAC(E)-2-(cyclopentylmethyl)-N-propan-2-ylhex-4-enamide
SMILESC/C=C/CC(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/h4-5,12-14H,6-11H2,1-3H3,(H,16,17)/b5-4+
InChIKeyCYKRWJBFAIDHQJ-SNAWJCMRSA-N
MW237.39 g/mol
LogP3.67
Rot. Bonds6

About (E)-2-(cyclopentylmethyl)-N-propan-2-ylhex-4-enamide

(E)-2-(cyclopentylmethyl)-N-propan-2-ylhex-4-enamide (PubChem CID 21366302) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (E)-2-(cyclopentylmethyl)-N-propan-2-ylhex-4-enamide.

Molecular Properties

Compound Name(E)-2-(cyclopentylmethyl)-N-propan-2-ylhex-4-enamide
PubChem CID21366302
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(E)-2-(cyclopentylmethyl)-N-propan-2-ylhex-4-enamide
SMILESC/C=C/CC(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/h4-5,12-14H,6-11H2,1-3H3,(H,16,17)/b5-4+
InChIKeyCYKRWJBFAIDHQJ-SNAWJCMRSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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 (E)-2-(cyclopentylmethyl)-N-propan-2-ylhex-4-enamide?
The IUPAC name of (E)-2-(cyclopentylmethyl)-N-propan-2-ylhex-4-enamide (CID 21366302) is (E)-2-(cyclopentylmethyl)-N-propan-2-ylhex-4-enamide.
What is the SMILES notation for (E)-2-(cyclopentylmethyl)-N-propan-2-ylhex-4-enamide?
The canonical SMILES for (E)-2-(cyclopentylmethyl)-N-propan-2-ylhex-4-enamide is C/C=C/CC(CC1CCCC1)C(=O)NC(C)C.
What is the InChIKey of (E)-2-(cyclopentylmethyl)-N-propan-2-ylhex-4-enamide?
The InChIKey is CYKRWJBFAIDHQJ-SNAWJCMRSA-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/h4-5,12-14H,6-11H2,1-3H3,(H,16,17)/b5-4+.
What are the key properties of (E)-2-(cyclopentylmethyl)-N-propan-2-ylhex-4-enamide?
(E)-2-(cyclopentylmethyl)-N-propan-2-ylhex-4-enamide has a molecular weight of 237.39 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(cyclopentylmethyl)-N-propan-2-ylhex-4-enamide is sourced from PubChem (CID 21366302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).