N-[(E)-pent-3-enyl]cyclopropanecarboxamide

C9H15NO — CID 115627917

IUPACN-[(E)-pent-3-enyl]cyclopropanecarboxamide
SMILESC/C=C/CCNC(=O)C1CC1
InChIInChI=1S/C9H15NO/c1-2-3-4-7-10-9(11)8-5-6-8/h2-3,8H,4-7H2,1H3,(H,10,11)/b3-2+
InChIKeyOJXCTHYGQVJENJ-NSCUHMNNSA-N
MW153.22 g/mol
LogP1.48
Rot. Bonds4

About N-[(E)-pent-3-enyl]cyclopropanecarboxamide

N-[(E)-pent-3-enyl]cyclopropanecarboxamide (PubChem CID 115627917) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-[(E)-pent-3-enyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(E)-pent-3-enyl]cyclopropanecarboxamide
PubChem CID115627917
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-[(E)-pent-3-enyl]cyclopropanecarboxamide
SMILESC/C=C/CCNC(=O)C1CC1
InChIInChI=1S/C9H15NO/c1-2-3-4-7-10-9(11)8-5-6-8/h2-3,8H,4-7H2,1H3,(H,10,11)/b3-2+
InChIKeyOJXCTHYGQVJENJ-NSCUHMNNSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-pent-3-enyl]cyclopropanecarboxamide?
The IUPAC name of N-[(E)-pent-3-enyl]cyclopropanecarboxamide (CID 115627917) is N-[(E)-pent-3-enyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(E)-pent-3-enyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(E)-pent-3-enyl]cyclopropanecarboxamide is C/C=C/CCNC(=O)C1CC1.
What is the InChIKey of N-[(E)-pent-3-enyl]cyclopropanecarboxamide?
The InChIKey is OJXCTHYGQVJENJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-3-4-7-10-9(11)8-5-6-8/h2-3,8H,4-7H2,1H3,(H,10,11)/b3-2+.
What are the key properties of N-[(E)-pent-3-enyl]cyclopropanecarboxamide?
N-[(E)-pent-3-enyl]cyclopropanecarboxamide has a molecular weight of 153.22 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pent-3-enyl]cyclopropanecarboxamide is sourced from PubChem (CID 115627917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).