N-[1-(1-bicyclo[2.1.0]pent-3-enyl)ethenyl]propan-1-amine

C10H15N — CID 134463929

IUPACN-[1-(1-bicyclo[2.1.0]pent-3-enyl)ethenyl]propan-1-amine
SMILESC=C(NCCC)C12CC=C1C2
InChIInChI=1S/C10H15N/c1-3-6-11-8(2)10-5-4-9(10)7-10/h4,11H,2-3,5-7H2,1H3
InChIKeyHZBRUSPEYSNULC-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.22
Rot. Bonds4

About N-[1-(1-bicyclo[2.1.0]pent-3-enyl)ethenyl]propan-1-amine

N-[1-(1-bicyclo[2.1.0]pent-3-enyl)ethenyl]propan-1-amine (PubChem CID 134463929) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-[1-(1-bicyclo[2.1.0]pent-3-enyl)ethenyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-bicyclo[2.1.0]pent-3-enyl)ethenyl]propan-1-amine
PubChem CID134463929
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-[1-(1-bicyclo[2.1.0]pent-3-enyl)ethenyl]propan-1-amine
SMILESC=C(NCCC)C12CC=C1C2
InChIInChI=1S/C10H15N/c1-3-6-11-8(2)10-5-4-9(10)7-10/h4,11H,2-3,5-7H2,1H3
InChIKeyHZBRUSPEYSNULC-UHFFFAOYSA-N
XLogP2.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-bicyclo[2.1.0]pent-3-enyl)ethenyl]propan-1-amine?
The IUPAC name of N-[1-(1-bicyclo[2.1.0]pent-3-enyl)ethenyl]propan-1-amine (CID 134463929) is N-[1-(1-bicyclo[2.1.0]pent-3-enyl)ethenyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-bicyclo[2.1.0]pent-3-enyl)ethenyl]propan-1-amine?
The canonical SMILES for N-[1-(1-bicyclo[2.1.0]pent-3-enyl)ethenyl]propan-1-amine is C=C(NCCC)C12CC=C1C2.
What is the InChIKey of N-[1-(1-bicyclo[2.1.0]pent-3-enyl)ethenyl]propan-1-amine?
The InChIKey is HZBRUSPEYSNULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-3-6-11-8(2)10-5-4-9(10)7-10/h4,11H,2-3,5-7H2,1H3.
What are the key properties of N-[1-(1-bicyclo[2.1.0]pent-3-enyl)ethenyl]propan-1-amine?
N-[1-(1-bicyclo[2.1.0]pent-3-enyl)ethenyl]propan-1-amine has a molecular weight of 149.24 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-bicyclo[2.1.0]pent-3-enyl)ethenyl]propan-1-amine is sourced from PubChem (CID 134463929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).