2-(3,4-dihydro-2H-pyrrol-4-yl)but-3-en-2-amine

C8H14N2 — CID 123498976

IUPAC2-(3,4-dihydro-2H-pyrrol-4-yl)but-3-en-2-amine
SMILESC=CC(C)(N)C1C=NCC1
InChIInChI=1S/C8H14N2/c1-3-8(2,9)7-4-5-10-6-7/h3,6-7H,1,4-5,9H2,2H3
InChIKeyHDNKLDYKSQIWCF-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.98
Rot. Bonds2

About 2-(3,4-dihydro-2H-pyrrol-4-yl)but-3-en-2-amine

2-(3,4-dihydro-2H-pyrrol-4-yl)but-3-en-2-amine (PubChem CID 123498976) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyrrol-4-yl)but-3-en-2-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyrrol-4-yl)but-3-en-2-amine
PubChem CID123498976
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-(3,4-dihydro-2H-pyrrol-4-yl)but-3-en-2-amine
SMILESC=CC(C)(N)C1C=NCC1
InChIInChI=1S/C8H14N2/c1-3-8(2,9)7-4-5-10-6-7/h3,6-7H,1,4-5,9H2,2H3
InChIKeyHDNKLDYKSQIWCF-UHFFFAOYSA-N
XLogP0.98
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Methylpyrrol-2-yl)butan-2-imine
CID 57035429

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyrrol-4-yl)but-3-en-2-amine?
The IUPAC name of 2-(3,4-dihydro-2H-pyrrol-4-yl)but-3-en-2-amine (CID 123498976) is 2-(3,4-dihydro-2H-pyrrol-4-yl)but-3-en-2-amine.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyrrol-4-yl)but-3-en-2-amine?
The canonical SMILES for 2-(3,4-dihydro-2H-pyrrol-4-yl)but-3-en-2-amine is C=CC(C)(N)C1C=NCC1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyrrol-4-yl)but-3-en-2-amine?
The InChIKey is HDNKLDYKSQIWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-8(2,9)7-4-5-10-6-7/h3,6-7H,1,4-5,9H2,2H3.
What are the key properties of 2-(3,4-dihydro-2H-pyrrol-4-yl)but-3-en-2-amine?
2-(3,4-dihydro-2H-pyrrol-4-yl)but-3-en-2-amine has a molecular weight of 138.21 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyrrol-4-yl)but-3-en-2-amine is sourced from PubChem (CID 123498976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).