N-but-1-en-2-ylpyrrol-1-amine

C8H12N2 — CID 143453864

IUPACN-but-1-en-2-ylpyrrol-1-amine
SMILESC=C(CC)Nn1cccc1
InChIInChI=1S/C8H12N2/c1-3-8(2)9-10-6-4-5-7-10/h4-7,9H,2-3H2,1H3
InChIKeyFOZXEFGQESXXFV-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.96
Rot. Bonds3

About N-but-1-en-2-ylpyrrol-1-amine

N-but-1-en-2-ylpyrrol-1-amine (PubChem CID 143453864) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N-but-1-en-2-ylpyrrol-1-amine.

Molecular Properties

Compound NameN-but-1-en-2-ylpyrrol-1-amine
PubChem CID143453864
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN-but-1-en-2-ylpyrrol-1-amine
SMILESC=C(CC)Nn1cccc1
InChIInChI=1S/C8H12N2/c1-3-8(2)9-10-6-4-5-7-10/h4-7,9H,2-3H2,1H3
InChIKeyFOZXEFGQESXXFV-UHFFFAOYSA-N
XLogP1.96
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-ylpyrrol-1-amine?
The IUPAC name of N-but-1-en-2-ylpyrrol-1-amine (CID 143453864) is N-but-1-en-2-ylpyrrol-1-amine.
What is the SMILES notation for N-but-1-en-2-ylpyrrol-1-amine?
The canonical SMILES for N-but-1-en-2-ylpyrrol-1-amine is C=C(CC)Nn1cccc1.
What is the InChIKey of N-but-1-en-2-ylpyrrol-1-amine?
The InChIKey is FOZXEFGQESXXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-8(2)9-10-6-4-5-7-10/h4-7,9H,2-3H2,1H3.
What are the key properties of N-but-1-en-2-ylpyrrol-1-amine?
N-but-1-en-2-ylpyrrol-1-amine has a molecular weight of 136.20 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-ylpyrrol-1-amine is sourced from PubChem (CID 143453864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).