3-[(1Z)-buta-1,3-dienyl]-3H-pyrrol-2-amine

C8H10N2 — CID 118946201

IUPAC3-[(1Z)-buta-1,3-dienyl]-3H-pyrrol-2-amine
SMILESC=C/C=C\C1C=CN=C1N
InChIInChI=1S/C8H10N2/c1-2-3-4-7-5-6-10-8(7)9/h2-7H,1H2,(H2,9,10)/b4-3-
InChIKeyHYDAIYQMSNRDAT-ARJAWSKDSA-N
MW134.18 g/mol
LogP1.23
Rot. Bonds2

About 3-[(1Z)-buta-1,3-dienyl]-3H-pyrrol-2-amine

3-[(1Z)-buta-1,3-dienyl]-3H-pyrrol-2-amine (PubChem CID 118946201) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 3-[(1Z)-buta-1,3-dienyl]-3H-pyrrol-2-amine.

Molecular Properties

Compound Name3-[(1Z)-buta-1,3-dienyl]-3H-pyrrol-2-amine
PubChem CID118946201
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name3-[(1Z)-buta-1,3-dienyl]-3H-pyrrol-2-amine
SMILESC=C/C=C\C1C=CN=C1N
InChIInChI=1S/C8H10N2/c1-2-3-4-7-5-6-10-8(7)9/h2-7H,1H2,(H2,9,10)/b4-3-
InChIKeyHYDAIYQMSNRDAT-ARJAWSKDSA-N
XLogP1.23
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(1Z)-buta-1,3-dienyl]-3H-pyrrol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3H-Azepin-2-amine
CID 12372783
4-[(E)-4-aminobut-1-enyl]-3H-pyrrol-2-amine
CID 58310005
(3Z)-3-[(Z)-2-methylbut-2-enylidene]pyrrol-2-amine
CID 118474874
N'-[(1Z)-4-methylhexa-1,3-dienyl]ethanimidamide
CID 123664022
N'-[(1Z,3E)-2-methylpenta-1,3-dienyl]ethanimidamide
CID 134372298
(Z)-N'-[(1Z,4Z)-4-methyl-3-methylidenehexa-1,4-dienyl]pent-3-enimidamide
CID 137446904
2-methyl-N'-[(1Z,3Z)-penta-1,3-dienyl]propanimidamide
CID 139505791
3-prop-2-enyl-3H-azepin-2-amine
CID 141023882
6-methyl-3H-azepin-2-amine
CID 141911293
3-methyl-3H-pyrrol-2-amine
CID 142102588
4a,8a-Dihydroisoquinolin-1-amine
CID 143095299
(3Z)-3-but-3-enylidenepyrrol-2-amine
CID 143713204

Frequently Asked Questions

What is the IUPAC name of 3-[(1Z)-buta-1,3-dienyl]-3H-pyrrol-2-amine?
The IUPAC name of 3-[(1Z)-buta-1,3-dienyl]-3H-pyrrol-2-amine (CID 118946201) is 3-[(1Z)-buta-1,3-dienyl]-3H-pyrrol-2-amine.
What is the SMILES notation for 3-[(1Z)-buta-1,3-dienyl]-3H-pyrrol-2-amine?
The canonical SMILES for 3-[(1Z)-buta-1,3-dienyl]-3H-pyrrol-2-amine is C=C/C=C\C1C=CN=C1N.
What is the InChIKey of 3-[(1Z)-buta-1,3-dienyl]-3H-pyrrol-2-amine?
The InChIKey is HYDAIYQMSNRDAT-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-3-4-7-5-6-10-8(7)9/h2-7H,1H2,(H2,9,10)/b4-3-.
What are the key properties of 3-[(1Z)-buta-1,3-dienyl]-3H-pyrrol-2-amine?
3-[(1Z)-buta-1,3-dienyl]-3H-pyrrol-2-amine has a molecular weight of 134.18 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1Z)-buta-1,3-dienyl]-3H-pyrrol-2-amine is sourced from PubChem (CID 118946201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).