1-[(Z)-prop-1-enyl]-4-pyrrolidin-2-ylpyridin-2-imine

C12H17N3 — CID 155727649

IUPAC1-[(Z)-prop-1-enyl]-4-pyrrolidin-2-ylpyridin-2-imine
SMILES[H]/N=c1\cc(C2CCCN2)ccn1/C=C\C
InChIInChI=1S/C12H17N3/c1-2-7-15-8-5-10(9-12(15)13)11-4-3-6-14-11/h2,5,7-9,11,13-14H,3-4,6H2,1H3/b7-2-,13-12+
InChIKeyZOKPSXZQOOVHTP-MEIPFPOOSA-N
MW203.29 g/mol
LogP1.88
Rot. Bonds2

About 1-[(Z)-prop-1-enyl]-4-pyrrolidin-2-ylpyridin-2-imine

1-[(Z)-prop-1-enyl]-4-pyrrolidin-2-ylpyridin-2-imine (PubChem CID 155727649) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-[(Z)-prop-1-enyl]-4-pyrrolidin-2-ylpyridin-2-imine.

Molecular Properties

Compound Name1-[(Z)-prop-1-enyl]-4-pyrrolidin-2-ylpyridin-2-imine
PubChem CID155727649
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name1-[(Z)-prop-1-enyl]-4-pyrrolidin-2-ylpyridin-2-imine
SMILES[H]/N=c1\cc(C2CCCN2)ccn1/C=C\C
InChIInChI=1S/C12H17N3/c1-2-7-15-8-5-10(9-12(15)13)11-4-3-6-14-11/h2,5,7-9,11,13-14H,3-4,6H2,1H3/b7-2-,13-12+
InChIKeyZOKPSXZQOOVHTP-MEIPFPOOSA-N
XLogP1.88
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-[(3E,5Z)-octa-1,3,5-trien-3-yl]pyrrolidin-1-yl]-1,2-dihydropyrazin-3-amine
CID 121358181
1-But-1-en-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-2-imine
CID 123811988
(3Z)-5-imino-2-methyl-5-(2-methylpiperidin-1-yl)-N-propylpenta-1,3-dien-3-amine
CID 167047786
4-(4-Azaspiro[2.4]heptan-6-yl)-1-methylpyridin-2-imine
CID 168981579

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-prop-1-enyl]-4-pyrrolidin-2-ylpyridin-2-imine?
The IUPAC name of 1-[(Z)-prop-1-enyl]-4-pyrrolidin-2-ylpyridin-2-imine (CID 155727649) is 1-[(Z)-prop-1-enyl]-4-pyrrolidin-2-ylpyridin-2-imine.
What is the SMILES notation for 1-[(Z)-prop-1-enyl]-4-pyrrolidin-2-ylpyridin-2-imine?
The canonical SMILES for 1-[(Z)-prop-1-enyl]-4-pyrrolidin-2-ylpyridin-2-imine is [H]/N=c1\cc(C2CCCN2)ccn1/C=C\C.
What is the InChIKey of 1-[(Z)-prop-1-enyl]-4-pyrrolidin-2-ylpyridin-2-imine?
The InChIKey is ZOKPSXZQOOVHTP-MEIPFPOOSA-N. The full InChI is InChI=1S/C12H17N3/c1-2-7-15-8-5-10(9-12(15)13)11-4-3-6-14-11/h2,5,7-9,11,13-14H,3-4,6H2,1H3/b7-2-,13-12+.
What are the key properties of 1-[(Z)-prop-1-enyl]-4-pyrrolidin-2-ylpyridin-2-imine?
1-[(Z)-prop-1-enyl]-4-pyrrolidin-2-ylpyridin-2-imine has a molecular weight of 203.29 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-prop-1-enyl]-4-pyrrolidin-2-ylpyridin-2-imine is sourced from PubChem (CID 155727649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).