(E)-4-(3-methylpyrrolidin-1-yl)but-2-en-1-amine

C9H18N2 — CID 66046084

IUPAC(E)-4-(3-methylpyrrolidin-1-yl)but-2-en-1-amine
SMILESCC1CCN(C/C=C/CN)C1
InChIInChI=1S/C9H18N2/c1-9-4-7-11(8-9)6-3-2-5-10/h2-3,9H,4-8,10H2,1H3/b3-2+
InChIKeyUJJYNOUSIQNLFK-NSCUHMNNSA-N
MW154.26 g/mol
LogP0.84
Rot. Bonds3

About (E)-4-(3-methylpyrrolidin-1-yl)but-2-en-1-amine

(E)-4-(3-methylpyrrolidin-1-yl)but-2-en-1-amine (PubChem CID 66046084) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (E)-4-(3-methylpyrrolidin-1-yl)but-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-(3-methylpyrrolidin-1-yl)but-2-en-1-amine
PubChem CID66046084
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(E)-4-(3-methylpyrrolidin-1-yl)but-2-en-1-amine
SMILESCC1CCN(C/C=C/CN)C1
InChIInChI=1S/C9H18N2/c1-9-4-7-11(8-9)6-3-2-5-10/h2-3,9H,4-8,10H2,1H3/b3-2+
InChIKeyUJJYNOUSIQNLFK-NSCUHMNNSA-N
XLogP0.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(3-methylpyrrolidin-1-yl)but-2-en-1-amine?
The IUPAC name of (E)-4-(3-methylpyrrolidin-1-yl)but-2-en-1-amine (CID 66046084) is (E)-4-(3-methylpyrrolidin-1-yl)but-2-en-1-amine.
What is the SMILES notation for (E)-4-(3-methylpyrrolidin-1-yl)but-2-en-1-amine?
The canonical SMILES for (E)-4-(3-methylpyrrolidin-1-yl)but-2-en-1-amine is CC1CCN(C/C=C/CN)C1.
What is the InChIKey of (E)-4-(3-methylpyrrolidin-1-yl)but-2-en-1-amine?
The InChIKey is UJJYNOUSIQNLFK-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H18N2/c1-9-4-7-11(8-9)6-3-2-5-10/h2-3,9H,4-8,10H2,1H3/b3-2+.
What are the key properties of (E)-4-(3-methylpyrrolidin-1-yl)but-2-en-1-amine?
(E)-4-(3-methylpyrrolidin-1-yl)but-2-en-1-amine has a molecular weight of 154.26 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3-methylpyrrolidin-1-yl)but-2-en-1-amine is sourced from PubChem (CID 66046084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).