cycloheptene-1-carboxamide

C8H13NO — CID 22261654

IUPACcycloheptene-1-carboxamide
SMILESNC(=O)C1=CCCCCC1
InChIInChI=1S/C8H13NO/c9-8(10)7-5-3-1-2-4-6-7/h5H,1-4,6H2,(H2,9,10)
InChIKeyNIRMDYUESATWJX-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.36
Rot. Bonds1

About cycloheptene-1-carboxamide

cycloheptene-1-carboxamide (PubChem CID 22261654) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is cycloheptene-1-carboxamide.

Molecular Properties

Compound Namecycloheptene-1-carboxamide
PubChem CID22261654
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Namecycloheptene-1-carboxamide
SMILESNC(=O)C1=CCCCCC1
InChIInChI=1S/C8H13NO/c9-8(10)7-5-3-1-2-4-6-7/h5H,1-4,6H2,(H2,9,10)
InChIKeyNIRMDYUESATWJX-UHFFFAOYSA-N
XLogP1.36
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclohexene-1-carboxamide;ethane;molecular hydrogen
CID 162375470
aluminum tris(cycloheptene-1-carboxylate)
CID 22604888
N-oxocycloheptene-1-carboxamide
CID 130462192
3-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655124
2-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655132
ethyl cycloundecene-1-carboxylate
CID 154164177
methyl cyclododecene-1-carboxylate
CID 54564642
4-amino-3-(cyclohexen-1-yl)-4-oxobut-2-enoic acid
CID 67764066
1-(cyclohexen-1-yl)propane-1,2-dione
CID 68719323
hydroxymethyl cyclohexene-1-carboxylate
CID 91001163
1-(cycloocten-1-yl)-2,3-dimethylbutan-1-one
CID 106655769
[1-(aminomethyl)cyclobutyl]-(cycloocten-1-yl)methanone
CID 106655611

Frequently Asked Questions

What is the IUPAC name of cycloheptene-1-carboxamide?
The IUPAC name of cycloheptene-1-carboxamide (CID 22261654) is cycloheptene-1-carboxamide.
What is the SMILES notation for cycloheptene-1-carboxamide?
The canonical SMILES for cycloheptene-1-carboxamide is NC(=O)C1=CCCCCC1.
What is the InChIKey of cycloheptene-1-carboxamide?
The InChIKey is NIRMDYUESATWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c9-8(10)7-5-3-1-2-4-6-7/h5H,1-4,6H2,(H2,9,10).
What are the key properties of cycloheptene-1-carboxamide?
cycloheptene-1-carboxamide has a molecular weight of 139.20 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptene-1-carboxamide is sourced from PubChem (CID 22261654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).