N-oxocycloheptene-1-carboxamide

C8H11NO2 — CID 130462192

IUPACN-oxocycloheptene-1-carboxamide
SMILESO=NC(=O)C1=CCCCCC1
InChIInChI=1S/C8H11NO2/c10-8(9-11)7-5-3-1-2-4-6-7/h5H,1-4,6H2
InChIKeyKVZYJELQRWLAEG-UHFFFAOYSA-N
MW153.18 g/mol
LogP2.17
Rot. Bonds1

About N-oxocycloheptene-1-carboxamide

N-oxocycloheptene-1-carboxamide (PubChem CID 130462192) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is N-oxocycloheptene-1-carboxamide.

Molecular Properties

Compound NameN-oxocycloheptene-1-carboxamide
PubChem CID130462192
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC NameN-oxocycloheptene-1-carboxamide
SMILESO=NC(=O)C1=CCCCCC1
InChIInChI=1S/C8H11NO2/c10-8(9-11)7-5-3-1-2-4-6-7/h5H,1-4,6H2
InChIKeyKVZYJELQRWLAEG-UHFFFAOYSA-N
XLogP2.17
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cycloheptene-1-carboxamide
CID 22261654
aluminum tris(cycloheptene-1-carboxylate)
CID 22604888
methyl cyclododecene-1-carboxylate
CID 54564642
1-(cyclohexen-1-yl)propane-1,2-dione
CID 68719323
1-(cycloocten-1-yl)-2,3-dimethylbutan-1-one
CID 106655769
2-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655132
2-chloro-1-(cyclohepten-1-yl)-2,2-difluoroethanone
CID 106652177
3-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655124
cycloocten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 106655849
ethyl cycloundecene-1-carboxylate
CID 154164177
N,N-dimethylcyclohexene-1-carboxamide
CID 11019067
stibanyl cyclohexene-1-carboxylate
CID 174261272

Frequently Asked Questions

What is the IUPAC name of N-oxocycloheptene-1-carboxamide?
The IUPAC name of N-oxocycloheptene-1-carboxamide (CID 130462192) is N-oxocycloheptene-1-carboxamide.
What is the SMILES notation for N-oxocycloheptene-1-carboxamide?
The canonical SMILES for N-oxocycloheptene-1-carboxamide is O=NC(=O)C1=CCCCCC1.
What is the InChIKey of N-oxocycloheptene-1-carboxamide?
The InChIKey is KVZYJELQRWLAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c10-8(9-11)7-5-3-1-2-4-6-7/h5H,1-4,6H2.
What are the key properties of N-oxocycloheptene-1-carboxamide?
N-oxocycloheptene-1-carboxamide has a molecular weight of 153.18 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxocycloheptene-1-carboxamide is sourced from PubChem (CID 130462192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).