4-[(E)-4-aminobut-1-enyl]-3H-pyrrol-2-amine

C8H13N3 — CID 58310005

IUPAC4-[(E)-4-aminobut-1-enyl]-3H-pyrrol-2-amine
SMILESNCC/C=C/C1=CN=C(N)C1
InChIInChI=1S/C8H13N3/c9-4-2-1-3-7-5-8(10)11-6-7/h1,3,6H,2,4-5,9H2,(H2,10,11)/b3-1+
InChIKeyMCKNUFXNZXRSPK-HNQUOIGGSA-N
MW151.21 g/mol
LogP0.54
Rot. Bonds3

About 4-[(E)-4-aminobut-1-enyl]-3H-pyrrol-2-amine

4-[(E)-4-aminobut-1-enyl]-3H-pyrrol-2-amine (PubChem CID 58310005) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-[(E)-4-aminobut-1-enyl]-3H-pyrrol-2-amine.

Molecular Properties

Compound Name4-[(E)-4-aminobut-1-enyl]-3H-pyrrol-2-amine
PubChem CID58310005
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name4-[(E)-4-aminobut-1-enyl]-3H-pyrrol-2-amine
SMILESNCC/C=C/C1=CN=C(N)C1
InChIInChI=1S/C8H13N3/c9-4-2-1-3-7-5-8(10)11-6-7/h1,3,6H,2,4-5,9H2,(H2,10,11)/b3-1+
InChIKeyMCKNUFXNZXRSPK-HNQUOIGGSA-N
XLogP0.54
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-4-aminobut-1-enyl]-3H-pyrrol-2-amine?
The IUPAC name of 4-[(E)-4-aminobut-1-enyl]-3H-pyrrol-2-amine (CID 58310005) is 4-[(E)-4-aminobut-1-enyl]-3H-pyrrol-2-amine.
What is the SMILES notation for 4-[(E)-4-aminobut-1-enyl]-3H-pyrrol-2-amine?
The canonical SMILES for 4-[(E)-4-aminobut-1-enyl]-3H-pyrrol-2-amine is NCC/C=C/C1=CN=C(N)C1.
What is the InChIKey of 4-[(E)-4-aminobut-1-enyl]-3H-pyrrol-2-amine?
The InChIKey is MCKNUFXNZXRSPK-HNQUOIGGSA-N. The full InChI is InChI=1S/C8H13N3/c9-4-2-1-3-7-5-8(10)11-6-7/h1,3,6H,2,4-5,9H2,(H2,10,11)/b3-1+.
What are the key properties of 4-[(E)-4-aminobut-1-enyl]-3H-pyrrol-2-amine?
4-[(E)-4-aminobut-1-enyl]-3H-pyrrol-2-amine has a molecular weight of 151.21 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-4-aminobut-1-enyl]-3H-pyrrol-2-amine is sourced from PubChem (CID 58310005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).