N-prop-2-enylbicyclo[3.1.0]hexane-6-carboxamide

C10H15NO — CID 79600464

IUPACN-prop-2-enylbicyclo[3.1.0]hexane-6-carboxamide
SMILESC=CCNC(=O)C1C2CCCC21
InChIInChI=1S/C10H15NO/c1-2-6-11-10(12)9-7-4-3-5-8(7)9/h2,7-9H,1,3-6H2,(H,11,12)
InChIKeyXHWPGWDWSOTWQQ-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.33
Rot. Bonds3

About N-prop-2-enylbicyclo[3.1.0]hexane-6-carboxamide

N-prop-2-enylbicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 79600464) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-prop-2-enylbicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-prop-2-enylbicyclo[3.1.0]hexane-6-carboxamide
PubChem CID79600464
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-prop-2-enylbicyclo[3.1.0]hexane-6-carboxamide
SMILESC=CCNC(=O)C1C2CCCC21
InChIInChI=1S/C10H15NO/c1-2-6-11-10(12)9-7-4-3-5-8(7)9/h2,7-9H,1,3-6H2,(H,11,12)
InChIKeyXHWPGWDWSOTWQQ-UHFFFAOYSA-N
XLogP1.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylbicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-prop-2-enylbicyclo[3.1.0]hexane-6-carboxamide (CID 79600464) is N-prop-2-enylbicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-prop-2-enylbicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-prop-2-enylbicyclo[3.1.0]hexane-6-carboxamide is C=CCNC(=O)C1C2CCCC21.
What is the InChIKey of N-prop-2-enylbicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is XHWPGWDWSOTWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-6-11-10(12)9-7-4-3-5-8(7)9/h2,7-9H,1,3-6H2,(H,11,12).
What are the key properties of N-prop-2-enylbicyclo[3.1.0]hexane-6-carboxamide?
N-prop-2-enylbicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 165.24 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylbicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 79600464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).