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

C10H17NO — CID 178010860

IUPACN-[(E)-but-2-enyl]spiro[2.2]pentane-2-carboxamide;molecular hydrogen
SMILESC/C=C/CNC(=O)C1CC12CC2.[H][H]
InChIInChI=1S/C10H15NO.H2/c1-2-3-6-11-9(12)8-7-10(8)4-5-10;/h2-3,8H,4-7H2,1H3,(H,11,12);1H/b3-2+;
InChIKeyGSWGYZIRGXMDAH-SQQVDAMQSA-N
MW167.25 g/mol
LogP1.72
Rot. Bonds3

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

N-[(E)-but-2-enyl]spiro[2.2]pentane-2-carboxamide;molecular hydrogen (PubChem CID 178010860) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]spiro[2.2]pentane-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]spiro[2.2]pentane-2-carboxamide;molecular hydrogen
PubChem CID178010860
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-[(E)-but-2-enyl]spiro[2.2]pentane-2-carboxamide;molecular hydrogen
SMILESC/C=C/CNC(=O)C1CC12CC2.[H][H]
InChIInChI=1S/C10H15NO.H2/c1-2-3-6-11-9(12)8-7-10(8)4-5-10;/h2-3,8H,4-7H2,1H3,(H,11,12);1H/b3-2+;
InChIKeyGSWGYZIRGXMDAH-SQQVDAMQSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.72
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]-2,2-difluorospiro[2.2]pentane-1-carboxamide
CID 178011639
2-methyl-2-(4-methylpent-3-enyl)-N-prop-2-enylcyclopropane-1-carboxamide
CID 57710757
N-(cyclopropylmethyl)-2-ethenyl-1-ethylcyclopropane-1-carboxamide
CID 58472481
N-[[2-[(Z)-hex-3-enyl]-1-methylcyclopropyl]methyl]cyclopropanecarboxamide
CID 68302034
2-cyclopropyl-N-prop-2-enylpropanamide
CID 79505886
2,3-dimethyl-2-propan-2-yl-N-prop-2-enylbutanamide
CID 87898027
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

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]spiro[2.2]pentane-2-carboxamide;molecular hydrogen?
The IUPAC name of N-[(E)-but-2-enyl]spiro[2.2]pentane-2-carboxamide;molecular hydrogen (CID 178010860) is N-[(E)-but-2-enyl]spiro[2.2]pentane-2-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[(E)-but-2-enyl]spiro[2.2]pentane-2-carboxamide;molecular hydrogen?
The canonical SMILES for N-[(E)-but-2-enyl]spiro[2.2]pentane-2-carboxamide;molecular hydrogen is C/C=C/CNC(=O)C1CC12CC2.[H][H].
What is the InChIKey of N-[(E)-but-2-enyl]spiro[2.2]pentane-2-carboxamide;molecular hydrogen?
The InChIKey is GSWGYZIRGXMDAH-SQQVDAMQSA-N. The full InChI is InChI=1S/C10H15NO.H2/c1-2-3-6-11-9(12)8-7-10(8)4-5-10;/h2-3,8H,4-7H2,1H3,(H,11,12);1H/b3-2+;.
What are the key properties of N-[(E)-but-2-enyl]spiro[2.2]pentane-2-carboxamide;molecular hydrogen?
N-[(E)-but-2-enyl]spiro[2.2]pentane-2-carboxamide;molecular hydrogen has a molecular weight of 167.25 g/mol, XLogP of 1.72, 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;molecular hydrogen is sourced from PubChem (CID 178010860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).