N-(6-bicyclo[3.2.0]hept-2-enylideneamino)heptanamide

C14H22N2O — CID 3724265

IUPACN-(6-bicyclo[3.2.0]hept-2-enylideneamino)heptanamide
SMILESCCCCCCC(=O)NN=C1CC2C=CCC12
InChIInChI=1S/C14H22N2O/c1-2-3-4-5-9-14(17)16-15-13-10-11-7-6-8-12(11)13/h6-7,11-12H,2-5,8-10H2,1H3,(H,16,17)
InChIKeyHCBDHXQNOVKSRG-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.03
Rot. Bonds6

About N-(6-bicyclo[3.2.0]hept-2-enylideneamino)heptanamide

N-(6-bicyclo[3.2.0]hept-2-enylideneamino)heptanamide (PubChem CID 3724265) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(6-bicyclo[3.2.0]hept-2-enylideneamino)heptanamide.

Molecular Properties

Compound NameN-(6-bicyclo[3.2.0]hept-2-enylideneamino)heptanamide
PubChem CID3724265
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(6-bicyclo[3.2.0]hept-2-enylideneamino)heptanamide
SMILESCCCCCCC(=O)NN=C1CC2C=CCC12
InChIInChI=1S/C14H22N2O/c1-2-3-4-5-9-14(17)16-15-13-10-11-7-6-8-12(11)13/h6-7,11-12H,2-5,8-10H2,1H3,(H,16,17)
InChIKeyHCBDHXQNOVKSRG-UHFFFAOYSA-N
XLogP3.03
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-prop-2-enyl-3-propyl-1,4-dihydropyrazol-5-one
CID 98106786
3-[(2E,5E)-5-fluoro-6-methylocta-2,5-dien-3-yl]-4-methyl-1,4,5,6-tetrahydrodiazepin-7-one
CID 163707964
4-Prop-2-enyl-3-propyl-1,4-dihydropyrazol-5-one
CID 2730640
N'~1~,N'~7~-Dibicyclo[3.2.0]hept-3-EN-6-ylidenheptanedihydrazide
CID 9624837
N'~1~,N'~6~-Dibicyclo[3.2.0]hept-3-EN-6-ylidenhexanedihydrazide
CID 9670029
4-Prop-1-enyl-3-propyl-1,4-dihydropyrazol-5-one
CID 69193772
3-[(2E,4Z)-2,5-dimethylhepta-2,4,6-trienyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 142842094
3-ethyl-N-[[(6Z,15Z)-henicosa-6,15-dien-11-ylidene]amino]dodecanamide
CID 169107465
N-[[(6Z,15Z)-henicosa-6,15-dien-11-ylidene]amino]-3-methyldodecanamide
CID 169107701
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)decanamide
CID 3349650
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)octanamide
CID 3361607
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)cyclohexanecarboxamide
CID 3456277

Frequently Asked Questions

What is the IUPAC name of N-(6-bicyclo[3.2.0]hept-2-enylideneamino)heptanamide?
The IUPAC name of N-(6-bicyclo[3.2.0]hept-2-enylideneamino)heptanamide (CID 3724265) is N-(6-bicyclo[3.2.0]hept-2-enylideneamino)heptanamide.
What is the SMILES notation for N-(6-bicyclo[3.2.0]hept-2-enylideneamino)heptanamide?
The canonical SMILES for N-(6-bicyclo[3.2.0]hept-2-enylideneamino)heptanamide is CCCCCCC(=O)NN=C1CC2C=CCC12.
What is the InChIKey of N-(6-bicyclo[3.2.0]hept-2-enylideneamino)heptanamide?
The InChIKey is HCBDHXQNOVKSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-3-4-5-9-14(17)16-15-13-10-11-7-6-8-12(11)13/h6-7,11-12H,2-5,8-10H2,1H3,(H,16,17).
What are the key properties of N-(6-bicyclo[3.2.0]hept-2-enylideneamino)heptanamide?
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)heptanamide has a molecular weight of 234.34 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bicyclo[3.2.0]hept-2-enylideneamino)heptanamide is sourced from PubChem (CID 3724265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).