(1R)-1-cyclopropyl-2-(3-ethenylpyrrolidin-1-yl)prop-2-en-1-amine

C12H20N2 — CID 166144810

IUPAC(1R)-1-cyclopropyl-2-(3-ethenylpyrrolidin-1-yl)prop-2-en-1-amine
SMILESC=CC1CCN(C(=C)[C@H](N)C2CC2)C1
InChIInChI=1S/C12H20N2/c1-3-10-6-7-14(8-10)9(2)12(13)11-4-5-11/h3,10-12H,1-2,4-8,13H2/t10?,12-/m0/s1
InChIKeyQIOXJVHKFMSLNR-KFJBMODSSA-N
MW192.31 g/mol
LogP1.75
Rot. Bonds4

About (1R)-1-cyclopropyl-2-(3-ethenylpyrrolidin-1-yl)prop-2-en-1-amine

(1R)-1-cyclopropyl-2-(3-ethenylpyrrolidin-1-yl)prop-2-en-1-amine (PubChem CID 166144810) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (1R)-1-cyclopropyl-2-(3-ethenylpyrrolidin-1-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1R)-1-cyclopropyl-2-(3-ethenylpyrrolidin-1-yl)prop-2-en-1-amine
PubChem CID166144810
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(1R)-1-cyclopropyl-2-(3-ethenylpyrrolidin-1-yl)prop-2-en-1-amine
SMILESC=CC1CCN(C(=C)[C@H](N)C2CC2)C1
InChIInChI=1S/C12H20N2/c1-3-10-6-7-14(8-10)9(2)12(13)11-4-5-11/h3,10-12H,1-2,4-8,13H2/t10?,12-/m0/s1
InChIKeyQIOXJVHKFMSLNR-KFJBMODSSA-N
XLogP1.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.75
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 (1R)-1-cyclopropyl-2-(3-ethenylpyrrolidin-1-yl)prop-2-en-1-amine?
The IUPAC name of (1R)-1-cyclopropyl-2-(3-ethenylpyrrolidin-1-yl)prop-2-en-1-amine (CID 166144810) is (1R)-1-cyclopropyl-2-(3-ethenylpyrrolidin-1-yl)prop-2-en-1-amine.
What is the SMILES notation for (1R)-1-cyclopropyl-2-(3-ethenylpyrrolidin-1-yl)prop-2-en-1-amine?
The canonical SMILES for (1R)-1-cyclopropyl-2-(3-ethenylpyrrolidin-1-yl)prop-2-en-1-amine is C=CC1CCN(C(=C)[C@H](N)C2CC2)C1.
What is the InChIKey of (1R)-1-cyclopropyl-2-(3-ethenylpyrrolidin-1-yl)prop-2-en-1-amine?
The InChIKey is QIOXJVHKFMSLNR-KFJBMODSSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-10-6-7-14(8-10)9(2)12(13)11-4-5-11/h3,10-12H,1-2,4-8,13H2/t10?,12-/m0/s1.
What are the key properties of (1R)-1-cyclopropyl-2-(3-ethenylpyrrolidin-1-yl)prop-2-en-1-amine?
(1R)-1-cyclopropyl-2-(3-ethenylpyrrolidin-1-yl)prop-2-en-1-amine has a molecular weight of 192.31 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclopropyl-2-(3-ethenylpyrrolidin-1-yl)prop-2-en-1-amine is sourced from PubChem (CID 166144810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).