N-(3H-pyrrol-5-ylmethyl)but-1-en-2-amine

C9H14N2 — CID 146416636

IUPACN-(3H-pyrrol-5-ylmethyl)but-1-en-2-amine
SMILESC=C(CC)NCC1=CCC=N1
InChIInChI=1S/C9H14N2/c1-3-8(2)11-7-9-5-4-6-10-9/h5-6,11H,2-4,7H2,1H3
InChIKeyQSEOCVSRKIPEFL-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.86
Rot. Bonds4

About N-(3H-pyrrol-5-ylmethyl)but-1-en-2-amine

N-(3H-pyrrol-5-ylmethyl)but-1-en-2-amine (PubChem CID 146416636) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N-(3H-pyrrol-5-ylmethyl)but-1-en-2-amine.

Molecular Properties

Compound NameN-(3H-pyrrol-5-ylmethyl)but-1-en-2-amine
PubChem CID146416636
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN-(3H-pyrrol-5-ylmethyl)but-1-en-2-amine
SMILESC=C(CC)NCC1=CCC=N1
InChIInChI=1S/C9H14N2/c1-3-8(2)11-7-9-5-4-6-10-9/h5-6,11H,2-4,7H2,1H3
InChIKeyQSEOCVSRKIPEFL-UHFFFAOYSA-N
XLogP1.86
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3H-pyrrol-5-ylmethyl)but-1-en-2-amine?
The IUPAC name of N-(3H-pyrrol-5-ylmethyl)but-1-en-2-amine (CID 146416636) is N-(3H-pyrrol-5-ylmethyl)but-1-en-2-amine.
What is the SMILES notation for N-(3H-pyrrol-5-ylmethyl)but-1-en-2-amine?
The canonical SMILES for N-(3H-pyrrol-5-ylmethyl)but-1-en-2-amine is C=C(CC)NCC1=CCC=N1.
What is the InChIKey of N-(3H-pyrrol-5-ylmethyl)but-1-en-2-amine?
The InChIKey is QSEOCVSRKIPEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-8(2)11-7-9-5-4-6-10-9/h5-6,11H,2-4,7H2,1H3.
What are the key properties of N-(3H-pyrrol-5-ylmethyl)but-1-en-2-amine?
N-(3H-pyrrol-5-ylmethyl)but-1-en-2-amine has a molecular weight of 150.22 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-pyrrol-5-ylmethyl)but-1-en-2-amine is sourced from PubChem (CID 146416636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).