N-[(E)-but-2-enyl]cyclobutanecarboxamide;ethane

C11H21NO — CID 178010302

IUPACN-[(E)-but-2-enyl]cyclobutanecarboxamide;ethane
SMILESC/C=C/CNC(=O)C1CCC1.CC
InChIInChI=1S/C9H15NO.C2H6/c1-2-3-7-10-9(11)8-5-4-6-8;1-2/h2-3,8H,4-7H2,1H3,(H,10,11);1-2H3/b3-2+;
InChIKeyFYONLDZFRBWSAW-SQQVDAMQSA-N
MW183.29 g/mol
LogP2.51
Rot. Bonds3

About N-[(E)-but-2-enyl]cyclobutanecarboxamide;ethane

N-[(E)-but-2-enyl]cyclobutanecarboxamide;ethane (PubChem CID 178010302) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]cyclobutanecarboxamide;ethane.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]cyclobutanecarboxamide;ethane
PubChem CID178010302
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-[(E)-but-2-enyl]cyclobutanecarboxamide;ethane
SMILESC/C=C/CNC(=O)C1CCC1.CC
InChIInChI=1S/C9H15NO.C2H6/c1-2-3-7-10-9(11)8-5-4-6-8;1-2/h2-3,8H,4-7H2,1H3,(H,10,11);1-2H3/b3-2+;
InChIKeyFYONLDZFRBWSAW-SQQVDAMQSA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.51
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

Valeramide, N-allyl-2-propyl-
CID 211203
N-(2-methylprop-2-enyl)pentanamide
CID 114618785
3-Methyl-N-2-propen-1-ylbutanamide
CID 4070754
N-[(2E)-2,5-dimethylhexa-2,4-dienyl]-3,3-difluorocyclobutane-1-carboxamide
CID 166927491
2,2-difluoro-N-[(E)-4-methylpent-2-enyl]cyclobutane-1-carboxamide
CID 178010167
N-[(E)-but-2-enyl]-2-cyclopropyl-2,2-difluoroacetamide;ethane
CID 178011026
Hexanamide, N-allyl-
CID 4153372
Cyclobutylcarboxamide, N-allyl-
CID 55207578
N-[(E)-but-2-enyl]-2-fluoro-2-methylpentanamide
CID 178010246
N-[(E)-but-2-enyl]-1-fluorocyclobutane-1-carboxamide
CID 178011694
Cyclobutylcarboxamide, N-methallyl-
CID 91695691
N-prop-2-enylpentanamide
CID 3515214

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]cyclobutanecarboxamide;ethane?
The IUPAC name of N-[(E)-but-2-enyl]cyclobutanecarboxamide;ethane (CID 178010302) is N-[(E)-but-2-enyl]cyclobutanecarboxamide;ethane.
What is the SMILES notation for N-[(E)-but-2-enyl]cyclobutanecarboxamide;ethane?
The canonical SMILES for N-[(E)-but-2-enyl]cyclobutanecarboxamide;ethane is C/C=C/CNC(=O)C1CCC1.CC.
What is the InChIKey of N-[(E)-but-2-enyl]cyclobutanecarboxamide;ethane?
The InChIKey is FYONLDZFRBWSAW-SQQVDAMQSA-N. The full InChI is InChI=1S/C9H15NO.C2H6/c1-2-3-7-10-9(11)8-5-4-6-8;1-2/h2-3,8H,4-7H2,1H3,(H,10,11);1-2H3/b3-2+;.
What are the key properties of N-[(E)-but-2-enyl]cyclobutanecarboxamide;ethane?
N-[(E)-but-2-enyl]cyclobutanecarboxamide;ethane has a molecular weight of 183.29 g/mol, XLogP of 2.51, 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]cyclobutanecarboxamide;ethane is sourced from PubChem (CID 178010302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).