7-[2-[(E)-oct-1-enyl]cyclopentyl]heptanamide

C20H37NO — CID 21403181

IUPAC7-[2-[(E)-oct-1-enyl]cyclopentyl]heptanamide
SMILESCCCCCC/C=C/C1CCCC1CCCCCCC(N)=O
InChIInChI=1S/C20H37NO/c1-2-3-4-5-6-9-13-18-15-12-16-19(18)14-10-7-8-11-17-20(21)22/h9,13,18-19H,2-8,10-12,14-17H2,1H3,(H2,21,22)/b13-9+
InChIKeyDOLXSYLLFJHGGQ-UKTHLTGXSA-N
MW307.52 g/mol
LogP5.76
Rot. Bonds13

About 7-[2-[(E)-oct-1-enyl]cyclopentyl]heptanamide

7-[2-[(E)-oct-1-enyl]cyclopentyl]heptanamide (PubChem CID 21403181) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is 7-[2-[(E)-oct-1-enyl]cyclopentyl]heptanamide.

Molecular Properties

Compound Name7-[2-[(E)-oct-1-enyl]cyclopentyl]heptanamide
PubChem CID21403181
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC Name7-[2-[(E)-oct-1-enyl]cyclopentyl]heptanamide
SMILESCCCCCC/C=C/C1CCCC1CCCCCCC(N)=O
InChIInChI=1S/C20H37NO/c1-2-3-4-5-6-9-13-18-15-12-16-19(18)14-10-7-8-11-17-20(21)22/h9,13,18-19H,2-8,10-12,14-17H2,1H3,(H2,21,22)/b13-9+
InChIKeyDOLXSYLLFJHGGQ-UKTHLTGXSA-N
XLogP5.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.52
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-[(1S,2S)-2-[(Z)-oct-1-enyl]cyclopentyl]heptanoic acid
CID 70513342
7-(2-oct-1-enylcyclopentyl)heptanoic acid
CID 54234183
trans-(1S,2S)-1-hept-1-enyl-2-hexylcyclopentane
CID 57208153
trans-(1S,2S)-1-hexyl-2-oct-1-enylcyclopentane
CID 54258252
trans-(1S,2S)-1-dec-1-enyl-2-hexylcyclopentane
CID 54565443
7-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptane-1,1,1-triol
CID 22806593
methyl 2-iodo-7-[(1S,2S)-2-oct-1-enylcyclopentyl]heptanoate
CID 154143928
2-[4-[(1R,2S)-2-non-1-enylcyclopentyl]butylsulfanyl]acetic acid
CID 57306372
2-[4-[(1R,2S)-2-dec-1-enylcyclopentyl]butylsulfanyl]acetic acid
CID 57231144
(E)-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 21145257
5-hydroxy-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptanoic acid
CID 154418264
trans-(1S,2R)-1-dec-1-enyl-2-hept-2-enylcyclopentane
CID 54243743

Frequently Asked Questions

What is the IUPAC name of 7-[2-[(E)-oct-1-enyl]cyclopentyl]heptanamide?
The IUPAC name of 7-[2-[(E)-oct-1-enyl]cyclopentyl]heptanamide (CID 21403181) is 7-[2-[(E)-oct-1-enyl]cyclopentyl]heptanamide.
What is the SMILES notation for 7-[2-[(E)-oct-1-enyl]cyclopentyl]heptanamide?
The canonical SMILES for 7-[2-[(E)-oct-1-enyl]cyclopentyl]heptanamide is CCCCCC/C=C/C1CCCC1CCCCCCC(N)=O.
What is the InChIKey of 7-[2-[(E)-oct-1-enyl]cyclopentyl]heptanamide?
The InChIKey is DOLXSYLLFJHGGQ-UKTHLTGXSA-N. The full InChI is InChI=1S/C20H37NO/c1-2-3-4-5-6-9-13-18-15-12-16-19(18)14-10-7-8-11-17-20(21)22/h9,13,18-19H,2-8,10-12,14-17H2,1H3,(H2,21,22)/b13-9+.
What are the key properties of 7-[2-[(E)-oct-1-enyl]cyclopentyl]heptanamide?
7-[2-[(E)-oct-1-enyl]cyclopentyl]heptanamide has a molecular weight of 307.52 g/mol, XLogP of 5.76, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(E)-oct-1-enyl]cyclopentyl]heptanamide is sourced from PubChem (CID 21403181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).