bicyclo[4.2.0]oct-5-ene-7-carboxamide

C9H13NO — CID 122573492

IUPACbicyclo[4.2.0]oct-5-ene-7-carboxamide
SMILESNC(=O)C1CC2CCCC=C21
InChIInChI=1S/C9H13NO/c10-9(11)8-5-6-3-1-2-4-7(6)8/h4,6,8H,1-3,5H2,(H2,10,11)
InChIKeyOZYHMOHRCVCZCA-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.22
Rot. Bonds1

About bicyclo[4.2.0]oct-5-ene-7-carboxamide

bicyclo[4.2.0]oct-5-ene-7-carboxamide (PubChem CID 122573492) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is bicyclo[4.2.0]oct-5-ene-7-carboxamide.

Molecular Properties

Compound Namebicyclo[4.2.0]oct-5-ene-7-carboxamide
PubChem CID122573492
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Namebicyclo[4.2.0]oct-5-ene-7-carboxamide
SMILESNC(=O)C1CC2CCCC=C21
InChIInChI=1S/C9H13NO/c10-9(11)8-5-6-3-1-2-4-7(6)8/h4,6,8H,1-3,5H2,(H2,10,11)
InChIKeyOZYHMOHRCVCZCA-UHFFFAOYSA-N
XLogP1.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl)-2-methylpropan-1-one
CID 67925640
(1S)-2,3,3a,4,5,6-hexahydro-1H-inden-1-amine
CID 150690711
(1R)-1-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 100929671
1,2,3,4,4a,5,5a,6-octahydrotetracene-1-carboxamide
CID 137353087
1-[4-(dimethylamino)-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]ethanone
CID 90135958
2-acetyl-3,4,4a,5,6,7-hexahydro-2H-naphthalen-1-one
CID 67197067
1,2-bis(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)ethane-1,2-dione
CID 66794672
2,3,3a,4,5,6-hexahydropentalene-1-carboxamide
CID 45084304
3-amino-1-naphthalen-1-yl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-ol
CID 166517170
ethyl 2-methylcyclohex-2-ene-1-carboxylate
CID 10397194
1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)ethanone
CID 68573045
cycloheptene-1-carboxamide
CID 22261654

Frequently Asked Questions

What is the IUPAC name of bicyclo[4.2.0]oct-5-ene-7-carboxamide?
The IUPAC name of bicyclo[4.2.0]oct-5-ene-7-carboxamide (CID 122573492) is bicyclo[4.2.0]oct-5-ene-7-carboxamide.
What is the SMILES notation for bicyclo[4.2.0]oct-5-ene-7-carboxamide?
The canonical SMILES for bicyclo[4.2.0]oct-5-ene-7-carboxamide is NC(=O)C1CC2CCCC=C21.
What is the InChIKey of bicyclo[4.2.0]oct-5-ene-7-carboxamide?
The InChIKey is OZYHMOHRCVCZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c10-9(11)8-5-6-3-1-2-4-7(6)8/h4,6,8H,1-3,5H2,(H2,10,11).
What are the key properties of bicyclo[4.2.0]oct-5-ene-7-carboxamide?
bicyclo[4.2.0]oct-5-ene-7-carboxamide has a molecular weight of 151.21 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[4.2.0]oct-5-ene-7-carboxamide is sourced from PubChem (CID 122573492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).