N-(2-methylbut-3-yn-2-yl)bicyclo[3.1.0]hexane-6-carboxamide

C12H17NO — CID 79795775

IUPACN-(2-methylbut-3-yn-2-yl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESC#CC(C)(C)NC(=O)C1C2CCCC21
InChIInChI=1S/C12H17NO/c1-4-12(2,3)13-11(14)10-8-6-5-7-9(8)10/h1,8-10H,5-7H2,2-3H3,(H,13,14)
InChIKeySXZRMECUYUAUTL-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.56
Rot. Bonds2

About N-(2-methylbut-3-yn-2-yl)bicyclo[3.1.0]hexane-6-carboxamide

N-(2-methylbut-3-yn-2-yl)bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 79795775) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-(2-methylbut-3-yn-2-yl)bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-(2-methylbut-3-yn-2-yl)bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID79795775
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-(2-methylbut-3-yn-2-yl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESC#CC(C)(C)NC(=O)C1C2CCCC21
InChIInChI=1S/C12H17NO/c1-4-12(2,3)13-11(14)10-8-6-5-7-9(8)10/h1,8-10H,5-7H2,2-3H3,(H,13,14)
InChIKeySXZRMECUYUAUTL-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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'}

Analyze N-(2-methylbut-3-yn-2-yl)bicyclo[3.1.0]hexane-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbut-3-yn-2-yl)bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-(2-methylbut-3-yn-2-yl)bicyclo[3.1.0]hexane-6-carboxamide (CID 79795775) is N-(2-methylbut-3-yn-2-yl)bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-(2-methylbut-3-yn-2-yl)bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-(2-methylbut-3-yn-2-yl)bicyclo[3.1.0]hexane-6-carboxamide is C#CC(C)(C)NC(=O)C1C2CCCC21.
What is the InChIKey of N-(2-methylbut-3-yn-2-yl)bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is SXZRMECUYUAUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-12(2,3)13-11(14)10-8-6-5-7-9(8)10/h1,8-10H,5-7H2,2-3H3,(H,13,14).
What are the key properties of N-(2-methylbut-3-yn-2-yl)bicyclo[3.1.0]hexane-6-carboxamide?
N-(2-methylbut-3-yn-2-yl)bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 191.27 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbut-3-yn-2-yl)bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 79795775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).