N-[1-(1-ethenylpyrrolidin-2-yl)ethenyl]prop-2-en-1-amine

C11H18N2 — CID 142013187

IUPACN-[1-(1-ethenylpyrrolidin-2-yl)ethenyl]prop-2-en-1-amine
SMILESC=CCNC(=C)C1CCCN1C=C
InChIInChI=1S/C11H18N2/c1-4-8-12-10(3)11-7-6-9-13(11)5-2/h4-5,11-12H,1-3,6-9H2
InChIKeyQERQCZZZWJDGQA-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.88
Rot. Bonds5

About N-[1-(1-ethenylpyrrolidin-2-yl)ethenyl]prop-2-en-1-amine

N-[1-(1-ethenylpyrrolidin-2-yl)ethenyl]prop-2-en-1-amine (PubChem CID 142013187) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-[1-(1-ethenylpyrrolidin-2-yl)ethenyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[1-(1-ethenylpyrrolidin-2-yl)ethenyl]prop-2-en-1-amine
PubChem CID142013187
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-[1-(1-ethenylpyrrolidin-2-yl)ethenyl]prop-2-en-1-amine
SMILESC=CCNC(=C)C1CCCN1C=C
InChIInChI=1S/C11H18N2/c1-4-8-12-10(3)11-7-6-9-13(11)5-2/h4-5,11-12H,1-3,6-9H2
InChIKeyQERQCZZZWJDGQA-UHFFFAOYSA-N
XLogP1.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.88
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 N-[1-(1-ethenylpyrrolidin-2-yl)ethenyl]prop-2-en-1-amine?
The IUPAC name of N-[1-(1-ethenylpyrrolidin-2-yl)ethenyl]prop-2-en-1-amine (CID 142013187) is N-[1-(1-ethenylpyrrolidin-2-yl)ethenyl]prop-2-en-1-amine.
What is the SMILES notation for N-[1-(1-ethenylpyrrolidin-2-yl)ethenyl]prop-2-en-1-amine?
The canonical SMILES for N-[1-(1-ethenylpyrrolidin-2-yl)ethenyl]prop-2-en-1-amine is C=CCNC(=C)C1CCCN1C=C.
What is the InChIKey of N-[1-(1-ethenylpyrrolidin-2-yl)ethenyl]prop-2-en-1-amine?
The InChIKey is QERQCZZZWJDGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-8-12-10(3)11-7-6-9-13(11)5-2/h4-5,11-12H,1-3,6-9H2.
What are the key properties of N-[1-(1-ethenylpyrrolidin-2-yl)ethenyl]prop-2-en-1-amine?
N-[1-(1-ethenylpyrrolidin-2-yl)ethenyl]prop-2-en-1-amine has a molecular weight of 178.28 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethenylpyrrolidin-2-yl)ethenyl]prop-2-en-1-amine is sourced from PubChem (CID 142013187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).