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

C11H17NO — CID 130891244

IUPACN-(2-methylprop-2-enyl)spiro[2.3]hexane-2-carboxamide
SMILESC=C(C)CNC(=O)C1CC12CCC2
InChIInChI=1S/C11H17NO/c1-8(2)7-12-10(13)9-6-11(9)4-3-5-11/h9H,1,3-7H2,2H3,(H,12,13)
InChIKeyYXLLROMEXMUZLA-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.87
Rot. Bonds3

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

N-(2-methylprop-2-enyl)spiro[2.3]hexane-2-carboxamide (PubChem CID 130891244) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)spiro[2.3]hexane-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)spiro[2.3]hexane-2-carboxamide
PubChem CID130891244
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-(2-methylprop-2-enyl)spiro[2.3]hexane-2-carboxamide
SMILESC=C(C)CNC(=O)C1CC12CCC2
InChIInChI=1S/C11H17NO/c1-8(2)7-12-10(13)9-6-11(9)4-3-5-11/h9H,1,3-7H2,2H3,(H,12,13)
InChIKeyYXLLROMEXMUZLA-UHFFFAOYSA-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

Cyclohexanecarboxamide, N-methallyl-
CID 91695804
N,2,2-triethylcyclobutane-1-carboxamide
CID 20600488
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
N-propan-2-ylspiro[2.3]hexane-2-carboxamide
CID 130694456
N-prop-2-enylspiro[2.3]hexane-2-carboxamide
CID 131019470
(2S)-N-propan-2-ylspiro[2.3]hexane-2-carboxamide
CID 141643023
(2R)-N-ethyl-2-spiro[2.3]hexan-5-ylpropanamide
CID 156093133
N-[(E)-but-2-enyl]spiro[2.2]pentane-2-carboxamide;molecular hydrogen
CID 178010860
N-[(E)-but-2-enyl]spiro[2.3]hexane-2-carboxamide
CID 178010950
N-ethyl-N-(2-methylprop-2-enyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 64069738

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)spiro[2.3]hexane-2-carboxamide?
The IUPAC name of N-(2-methylprop-2-enyl)spiro[2.3]hexane-2-carboxamide (CID 130891244) is N-(2-methylprop-2-enyl)spiro[2.3]hexane-2-carboxamide.
What is the SMILES notation for N-(2-methylprop-2-enyl)spiro[2.3]hexane-2-carboxamide?
The canonical SMILES for N-(2-methylprop-2-enyl)spiro[2.3]hexane-2-carboxamide is C=C(C)CNC(=O)C1CC12CCC2.
What is the InChIKey of N-(2-methylprop-2-enyl)spiro[2.3]hexane-2-carboxamide?
The InChIKey is YXLLROMEXMUZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8(2)7-12-10(13)9-6-11(9)4-3-5-11/h9H,1,3-7H2,2H3,(H,12,13).
What are the key properties of N-(2-methylprop-2-enyl)spiro[2.3]hexane-2-carboxamide?
N-(2-methylprop-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-(2-methylprop-2-enyl)spiro[2.3]hexane-2-carboxamide is sourced from PubChem (CID 130891244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).