N-[(E)-but-2-enyl]spiro[2.2]pentane-2-carboxamide

C10H15NO — CID 178010260

IUPACN-[(E)-but-2-enyl]spiro[2.2]pentane-2-carboxamide
SMILESC/C=C/CNC(=O)C1CC12CC2
InChIInChI=1S/C10H15NO/c1-2-3-6-11-9(12)8-7-10(8)4-5-10/h2-3,8H,4-7H2,1H3,(H,11,12)/b3-2+
InChIKeyQMTAQOOBDYDJGT-NSCUHMNNSA-N
MW165.24 g/mol
LogP1.48
Rot. Bonds3

About N-[(E)-but-2-enyl]spiro[2.2]pentane-2-carboxamide

N-[(E)-but-2-enyl]spiro[2.2]pentane-2-carboxamide (PubChem CID 178010260) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]spiro[2.2]pentane-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]spiro[2.2]pentane-2-carboxamide
PubChem CID178010260
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-[(E)-but-2-enyl]spiro[2.2]pentane-2-carboxamide
SMILESC/C=C/CNC(=O)C1CC12CC2
InChIInChI=1S/C10H15NO/c1-2-3-6-11-9(12)8-7-10(8)4-5-10/h2-3,8H,4-7H2,1H3,(H,11,12)/b3-2+
InChIKeyQMTAQOOBDYDJGT-NSCUHMNNSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(E)-but-2-enyl]spiro[2.2]pentane-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(E)-but-2-enyl]-2,2-difluorospiro[2.2]pentane-1-carboxamide
CID 178011639
N-(cyclopropylmethyl)-2-ethenyl-1-ethylcyclopropane-1-carboxamide
CID 58472481
2-cyclopropyl-N-prop-2-enylpropanamide
CID 79505886
2-tert-butyl-4,4-dimethyl-N-prop-2-enylpentanamide
CID 88560556
(2R)-2,3,3-trimethyl-N-[(E)-2-methylbut-2-enyl]pentanamide
CID 88991997
4,4-dimethyl-2-propan-2-yl-N-prop-2-enylpentanamide
CID 89151531
2,4,4-trimethyl-2-propan-2-yl-N-prop-2-enylpentanamide
CID 89362793
3-methyl-N-prop-2-enylhexanamide
CID 118686883
2,3,3-trimethyl-N-(2-methylbut-2-enyl)pentanamide
CID 123780328
N-prop-2-enylspiro[2.3]hexane-2-carboxamide
CID 131019470
N-[(Z)-but-2-enyl]-2-cyclopropylacetamide
CID 152451387
2-tert-butyl-2,4,4-trimethyl-N-prop-2-enylpentanamide
CID 156569078

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]spiro[2.2]pentane-2-carboxamide?
The IUPAC name of N-[(E)-but-2-enyl]spiro[2.2]pentane-2-carboxamide (CID 178010260) is N-[(E)-but-2-enyl]spiro[2.2]pentane-2-carboxamide.
What is the SMILES notation for N-[(E)-but-2-enyl]spiro[2.2]pentane-2-carboxamide?
The canonical SMILES for N-[(E)-but-2-enyl]spiro[2.2]pentane-2-carboxamide is C/C=C/CNC(=O)C1CC12CC2.
What is the InChIKey of N-[(E)-but-2-enyl]spiro[2.2]pentane-2-carboxamide?
The InChIKey is QMTAQOOBDYDJGT-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-3-6-11-9(12)8-7-10(8)4-5-10/h2-3,8H,4-7H2,1H3,(H,11,12)/b3-2+.
What are the key properties of N-[(E)-but-2-enyl]spiro[2.2]pentane-2-carboxamide?
N-[(E)-but-2-enyl]spiro[2.2]pentane-2-carboxamide has a molecular weight of 165.24 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]spiro[2.2]pentane-2-carboxamide is sourced from PubChem (CID 178010260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).