2-(3,4-dihydro-2H-pyrrol-5-yl)-3-methyliminobut-1-en-1-amine

C9H15N3 — CID 149467653

IUPAC2-(3,4-dihydro-2H-pyrrol-5-yl)-3-methyliminobut-1-en-1-amine
SMILESC/N=C(\C)C(=CN)C1=NCCC1
InChIInChI=1S/C9H15N3/c1-7(11-2)8(6-10)9-4-3-5-12-9/h6H,3-5,10H2,1-2H3/b8-6?,11-7+
InChIKeyYIXVHXRQMCVUKK-CCHMHEJCSA-N
MW165.24 g/mol
LogP1.15
Rot. Bonds2

About 2-(3,4-dihydro-2H-pyrrol-5-yl)-3-methyliminobut-1-en-1-amine

2-(3,4-dihydro-2H-pyrrol-5-yl)-3-methyliminobut-1-en-1-amine (PubChem CID 149467653) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyrrol-5-yl)-3-methyliminobut-1-en-1-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyrrol-5-yl)-3-methyliminobut-1-en-1-amine
PubChem CID149467653
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name2-(3,4-dihydro-2H-pyrrol-5-yl)-3-methyliminobut-1-en-1-amine
SMILESC/N=C(\C)C(=CN)C1=NCCC1
InChIInChI=1S/C9H15N3/c1-7(11-2)8(6-10)9-4-3-5-12-9/h6H,3-5,10H2,1-2H3/b8-6?,11-7+
InChIKeyYIXVHXRQMCVUKK-CCHMHEJCSA-N
XLogP1.15
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyrrol-5-yl)-3-methyliminobut-1-en-1-amine?
The IUPAC name of 2-(3,4-dihydro-2H-pyrrol-5-yl)-3-methyliminobut-1-en-1-amine (CID 149467653) is 2-(3,4-dihydro-2H-pyrrol-5-yl)-3-methyliminobut-1-en-1-amine.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyrrol-5-yl)-3-methyliminobut-1-en-1-amine?
The canonical SMILES for 2-(3,4-dihydro-2H-pyrrol-5-yl)-3-methyliminobut-1-en-1-amine is C/N=C(\C)C(=CN)C1=NCCC1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyrrol-5-yl)-3-methyliminobut-1-en-1-amine?
The InChIKey is YIXVHXRQMCVUKK-CCHMHEJCSA-N. The full InChI is InChI=1S/C9H15N3/c1-7(11-2)8(6-10)9-4-3-5-12-9/h6H,3-5,10H2,1-2H3/b8-6?,11-7+.
What are the key properties of 2-(3,4-dihydro-2H-pyrrol-5-yl)-3-methyliminobut-1-en-1-amine?
2-(3,4-dihydro-2H-pyrrol-5-yl)-3-methyliminobut-1-en-1-amine has a molecular weight of 165.24 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyrrol-5-yl)-3-methyliminobut-1-en-1-amine is sourced from PubChem (CID 149467653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).