N-prop-2-ynylbicyclo[4.1.0]heptane-7-carboxamide

C11H15NO — CID 79139027

IUPACN-prop-2-ynylbicyclo[4.1.0]heptane-7-carboxamide
SMILESC#CCNC(=O)C1C2CCCCC21
InChIInChI=1S/C11H15NO/c1-2-7-12-11(13)10-8-5-3-4-6-9(8)10/h1,8-10H,3-7H2,(H,12,13)
InChIKeyYUFCWBILGTYUPZ-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.17
Rot. Bonds2

About N-prop-2-ynylbicyclo[4.1.0]heptane-7-carboxamide

N-prop-2-ynylbicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 79139027) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-prop-2-ynylbicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-prop-2-ynylbicyclo[4.1.0]heptane-7-carboxamide
PubChem CID79139027
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-prop-2-ynylbicyclo[4.1.0]heptane-7-carboxamide
SMILESC#CCNC(=O)C1C2CCCCC21
InChIInChI=1S/C11H15NO/c1-2-7-12-11(13)10-8-5-3-4-6-9(8)10/h1,8-10H,3-7H2,(H,12,13)
InChIKeyYUFCWBILGTYUPZ-UHFFFAOYSA-N
XLogP1.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-ynylcyclooctanecarboxamide
CID 65020760
(1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide
CID 124567047
N-prop-2-ynyl-2-oxabicyclo[3.1.0]hexane-6-carboxamide
CID 127009608
N-ethylbicyclo[3.1.0]hexane-6-carboxamide
CID 79600194
N-[2-(methylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 81478899
N-(2-aminoethyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 81459042
N-(2-bromopropyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 114308612
2-(prop-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103977753
N-(3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 81449431
N-prop-2-enylbicyclo[4.1.0]heptane-7-carboxamide
CID 4301039
N-(3-hydroxy-4-methylpentyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 111540255
N-(4-cyanobutyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79208844

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynylbicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-prop-2-ynylbicyclo[4.1.0]heptane-7-carboxamide (CID 79139027) is N-prop-2-ynylbicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-prop-2-ynylbicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-prop-2-ynylbicyclo[4.1.0]heptane-7-carboxamide is C#CCNC(=O)C1C2CCCCC21.
What is the InChIKey of N-prop-2-ynylbicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is YUFCWBILGTYUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-7-12-11(13)10-8-5-3-4-6-9(8)10/h1,8-10H,3-7H2,(H,12,13).
What are the key properties of N-prop-2-ynylbicyclo[4.1.0]heptane-7-carboxamide?
N-prop-2-ynylbicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 177.25 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynylbicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 79139027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).