3-(4-prop-1-en-2-yl-3H-pyrrol-2-yl)pyridine

C12H12N2 — CID 134228703

IUPAC3-(4-prop-1-en-2-yl-3H-pyrrol-2-yl)pyridine
SMILESC=C(C)C1=CN=C(c2cccnc2)C1
InChIInChI=1S/C12H12N2/c1-9(2)11-6-12(14-8-11)10-4-3-5-13-7-10/h3-5,7-8H,1,6H2,2H3
InChIKeyFDWNRTCIZGAFCO-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.73
Rot. Bonds2

About 3-(4-prop-1-en-2-yl-3H-pyrrol-2-yl)pyridine

3-(4-prop-1-en-2-yl-3H-pyrrol-2-yl)pyridine (PubChem CID 134228703) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-(4-prop-1-en-2-yl-3H-pyrrol-2-yl)pyridine.

Molecular Properties

Compound Name3-(4-prop-1-en-2-yl-3H-pyrrol-2-yl)pyridine
PubChem CID134228703
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name3-(4-prop-1-en-2-yl-3H-pyrrol-2-yl)pyridine
SMILESC=C(C)C1=CN=C(c2cccnc2)C1
InChIInChI=1S/C12H12N2/c1-9(2)11-6-12(14-8-11)10-4-3-5-13-7-10/h3-5,7-8H,1,6H2,2H3
InChIKeyFDWNRTCIZGAFCO-UHFFFAOYSA-N
XLogP2.73
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(4-prop-1-en-2-yl-3H-pyrrol-2-yl)pyridine?
The IUPAC name of 3-(4-prop-1-en-2-yl-3H-pyrrol-2-yl)pyridine (CID 134228703) is 3-(4-prop-1-en-2-yl-3H-pyrrol-2-yl)pyridine.
What is the SMILES notation for 3-(4-prop-1-en-2-yl-3H-pyrrol-2-yl)pyridine?
The canonical SMILES for 3-(4-prop-1-en-2-yl-3H-pyrrol-2-yl)pyridine is C=C(C)C1=CN=C(c2cccnc2)C1.
What is the InChIKey of 3-(4-prop-1-en-2-yl-3H-pyrrol-2-yl)pyridine?
The InChIKey is FDWNRTCIZGAFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-9(2)11-6-12(14-8-11)10-4-3-5-13-7-10/h3-5,7-8H,1,6H2,2H3.
What are the key properties of 3-(4-prop-1-en-2-yl-3H-pyrrol-2-yl)pyridine?
3-(4-prop-1-en-2-yl-3H-pyrrol-2-yl)pyridine has a molecular weight of 184.24 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-prop-1-en-2-yl-3H-pyrrol-2-yl)pyridine is sourced from PubChem (CID 134228703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).