N-pent-1-yn-3-ylbicyclo[3.1.0]hexane-6-carboxamide

C12H17NO — CID 103579393

IUPACN-pent-1-yn-3-ylbicyclo[3.1.0]hexane-6-carboxamide
SMILESC#CC(CC)NC(=O)C1C2CCCC21
InChIInChI=1S/C12H17NO/c1-3-8(4-2)13-12(14)11-9-6-5-7-10(9)11/h1,8-11H,4-7H2,2H3,(H,13,14)
InChIKeyLZFLJOMZKYSXAQ-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.56
Rot. Bonds3

About N-pent-1-yn-3-ylbicyclo[3.1.0]hexane-6-carboxamide

N-pent-1-yn-3-ylbicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 103579393) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-pent-1-yn-3-ylbicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-pent-1-yn-3-ylbicyclo[3.1.0]hexane-6-carboxamide
PubChem CID103579393
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-pent-1-yn-3-ylbicyclo[3.1.0]hexane-6-carboxamide
SMILESC#CC(CC)NC(=O)C1C2CCCC21
InChIInChI=1S/C12H17NO/c1-3-8(4-2)13-12(14)11-9-6-5-7-10(9)11/h1,8-11H,4-7H2,2H3,(H,13,14)
InChIKeyLZFLJOMZKYSXAQ-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.56
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-pent-1-yn-3-ylpyrrolidine-2-carboxamide
CID 106230323
N-[(2R)-1-hydroxybutan-2-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 103920219
(3R)-N-pent-1-yn-3-ylpiperidine-3-carboxamide
CID 106230318
2-amino-N-pent-1-yn-3-ylcycloheptane-1-carboxamide
CID 106230271
N-hex-1-yn-3-ylcyclobutanecarboxamide
CID 103528729
N-pent-1-yn-3-yl-2-azabicyclo[2.1.1]hexane-5-carboxamide
CID 130787810
2-(pent-1-yn-3-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 106223865
N-(1-hydroxypentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 109478793
1-cyclohexyl-3-pent-1-yn-3-ylurea
CID 106225399
N-(1-cyanopropan-2-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79672859
2-[cyclopentyl(pent-1-yn-3-ylcarbamoyl)amino]acetic acid
CID 114161576
2-(oxan-2-yl)-N-pent-1-yn-3-ylacetamide
CID 103579125

Frequently Asked Questions

What is the IUPAC name of N-pent-1-yn-3-ylbicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-pent-1-yn-3-ylbicyclo[3.1.0]hexane-6-carboxamide (CID 103579393) is N-pent-1-yn-3-ylbicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-pent-1-yn-3-ylbicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-pent-1-yn-3-ylbicyclo[3.1.0]hexane-6-carboxamide is C#CC(CC)NC(=O)C1C2CCCC21.
What is the InChIKey of N-pent-1-yn-3-ylbicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is LZFLJOMZKYSXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-8(4-2)13-12(14)11-9-6-5-7-10(9)11/h1,8-11H,4-7H2,2H3,(H,13,14).
What are the key properties of N-pent-1-yn-3-ylbicyclo[3.1.0]hexane-6-carboxamide?
N-pent-1-yn-3-ylbicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 191.27 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-1-yn-3-ylbicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 103579393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).