(E)-N-[1-(1-methylpyrrolidin-2-yl)ethenyl]but-2-en-1-amine

C11H20N2 — CID 130433320

IUPAC(E)-N-[1-(1-methylpyrrolidin-2-yl)ethenyl]but-2-en-1-amine
SMILESC=C(NC/C=C/C)C1CCCN1C
InChIInChI=1S/C11H20N2/c1-4-5-8-12-10(2)11-7-6-9-13(11)3/h4-5,11-12H,2,6-9H2,1,3H3/b5-4+
InChIKeyOPDAHEHENPOZPP-SNAWJCMRSA-N
MW180.30 g/mol
LogP1.76
Rot. Bonds4

About (E)-N-[1-(1-methylpyrrolidin-2-yl)ethenyl]but-2-en-1-amine

(E)-N-[1-(1-methylpyrrolidin-2-yl)ethenyl]but-2-en-1-amine (PubChem CID 130433320) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is (E)-N-[1-(1-methylpyrrolidin-2-yl)ethenyl]but-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[1-(1-methylpyrrolidin-2-yl)ethenyl]but-2-en-1-amine
PubChem CID130433320
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name(E)-N-[1-(1-methylpyrrolidin-2-yl)ethenyl]but-2-en-1-amine
SMILESC=C(NC/C=C/C)C1CCCN1C
InChIInChI=1S/C11H20N2/c1-4-5-8-12-10(2)11-7-6-9-13(11)3/h4-5,11-12H,2,6-9H2,1,3H3/b5-4+
InChIKeyOPDAHEHENPOZPP-SNAWJCMRSA-N
XLogP1.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 51.76
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)-N-[1-(1-methylpyrrolidin-2-yl)ethenyl]but-2-en-1-amine?
The IUPAC name of (E)-N-[1-(1-methylpyrrolidin-2-yl)ethenyl]but-2-en-1-amine (CID 130433320) is (E)-N-[1-(1-methylpyrrolidin-2-yl)ethenyl]but-2-en-1-amine.
What is the SMILES notation for (E)-N-[1-(1-methylpyrrolidin-2-yl)ethenyl]but-2-en-1-amine?
The canonical SMILES for (E)-N-[1-(1-methylpyrrolidin-2-yl)ethenyl]but-2-en-1-amine is C=C(NC/C=C/C)C1CCCN1C.
What is the InChIKey of (E)-N-[1-(1-methylpyrrolidin-2-yl)ethenyl]but-2-en-1-amine?
The InChIKey is OPDAHEHENPOZPP-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-5-8-12-10(2)11-7-6-9-13(11)3/h4-5,11-12H,2,6-9H2,1,3H3/b5-4+.
What are the key properties of (E)-N-[1-(1-methylpyrrolidin-2-yl)ethenyl]but-2-en-1-amine?
(E)-N-[1-(1-methylpyrrolidin-2-yl)ethenyl]but-2-en-1-amine has a molecular weight of 180.30 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(1-methylpyrrolidin-2-yl)ethenyl]but-2-en-1-amine is sourced from PubChem (CID 130433320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).