N-[(E)-but-2-enyl]spiro[2.3]hexane-2-carboxamide

C11H17NO — CID 178010950

IUPACN-[(E)-but-2-enyl]spiro[2.3]hexane-2-carboxamide
SMILESC/C=C/CNC(=O)C1CC12CCC2
InChIInChI=1S/C11H17NO/c1-2-3-7-12-10(13)9-8-11(9)5-4-6-11/h2-3,9H,4-8H2,1H3,(H,12,13)/b3-2+
InChIKeyBYFJZNQYMHECAR-NSCUHMNNSA-N
MW179.26 g/mol
LogP1.87
Rot. Bonds3

About N-[(E)-but-2-enyl]spiro[2.3]hexane-2-carboxamide

N-[(E)-but-2-enyl]spiro[2.3]hexane-2-carboxamide (PubChem CID 178010950) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]spiro[2.3]hexane-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]spiro[2.3]hexane-2-carboxamide
PubChem CID178010950
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-[(E)-but-2-enyl]spiro[2.3]hexane-2-carboxamide
SMILESC/C=C/CNC(=O)C1CC12CCC2
InChIInChI=1S/C11H17NO/c1-2-3-7-12-10(13)9-8-11(9)5-4-6-11/h2-3,9H,4-8H2,1H3,(H,12,13)/b3-2+
InChIKeyBYFJZNQYMHECAR-NSCUHMNNSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-but-2-enyl]-6,6-difluorospiro[2.5]octane-2-carboxamide
CID 178011082
2-methyl-2-(4-methylpent-3-enyl)-N-prop-2-enylcyclopropane-1-carboxamide
CID 57710757
N-ethyl-2-methyl-2-(4-methylpent-3-enyl)cyclopropane-1-carboxamide
CID 57711488
2-methyl-2-(4-methylpent-3-enyl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 57711574
2-tert-butyl-4,4-dimethyl-N-prop-2-enylpentanamide
CID 88560556
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
4-methyl-1-propan-2-yl-N-prop-2-enylcyclohexane-1-carboxamide
CID 124107374
N-prop-2-enylspiro[2.3]hexane-2-carboxamide
CID 131019470
N-[(Z)-but-2-enyl]-2-cyclobutylacetamide
CID 152108199
N-[(Z)-but-2-enyl]-2-cyclopentylacetamide
CID 152258138
(2R)-N-ethyl-2-spiro[2.3]hexan-5-ylpropanamide
CID 156093133

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]spiro[2.3]hexane-2-carboxamide?
The IUPAC name of N-[(E)-but-2-enyl]spiro[2.3]hexane-2-carboxamide (CID 178010950) is N-[(E)-but-2-enyl]spiro[2.3]hexane-2-carboxamide.
What is the SMILES notation for N-[(E)-but-2-enyl]spiro[2.3]hexane-2-carboxamide?
The canonical SMILES for N-[(E)-but-2-enyl]spiro[2.3]hexane-2-carboxamide is C/C=C/CNC(=O)C1CC12CCC2.
What is the InChIKey of N-[(E)-but-2-enyl]spiro[2.3]hexane-2-carboxamide?
The InChIKey is BYFJZNQYMHECAR-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-3-7-12-10(13)9-8-11(9)5-4-6-11/h2-3,9H,4-8H2,1H3,(H,12,13)/b3-2+.
What are the key properties of N-[(E)-but-2-enyl]spiro[2.3]hexane-2-carboxamide?
N-[(E)-but-2-enyl]spiro[2.3]hexane-2-carboxamide has a molecular weight of 179.26 g/mol, XLogP of 1.87, 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[2.3]hexane-2-carboxamide is sourced from PubChem (CID 178010950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).