4-[(Z)-but-1-enyl]-2-methylpyridine;carbon dioxide

C11H13NO2 — CID 157450822

IUPAC4-[(Z)-but-1-enyl]-2-methylpyridine;carbon dioxide
SMILESCC/C=C\c1ccnc(C)c1.O=C=O
InChIInChI=1S/C10H13N.CO2/c1-3-4-5-10-6-7-11-9(2)8-10;2-1-3/h4-8H,3H2,1-2H3;/b5-4-;
InChIKeyBSTYHUCXPACGLV-MKWAYWHRSA-N
MW191.23 g/mol
LogP2.23
Rot. Bonds2

About 4-[(Z)-but-1-enyl]-2-methylpyridine;carbon dioxide

4-[(Z)-but-1-enyl]-2-methylpyridine;carbon dioxide (PubChem CID 157450822) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-[(Z)-but-1-enyl]-2-methylpyridine;carbon dioxide.

Molecular Properties

Compound Name4-[(Z)-but-1-enyl]-2-methylpyridine;carbon dioxide
PubChem CID157450822
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name4-[(Z)-but-1-enyl]-2-methylpyridine;carbon dioxide
SMILESCC/C=C\c1ccnc(C)c1.O=C=O
InChIInChI=1S/C10H13N.CO2/c1-3-4-5-10-6-7-11-9(2)8-10;2-1-3/h4-8H,3H2,1-2H3;/b5-4-;
InChIKeyBSTYHUCXPACGLV-MKWAYWHRSA-N
XLogP2.23
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(Z)-but-1-enyl]-2-methylpyridine;carbon dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(2-methyl-4-pyridinyl)but-3-enyl]acetamide
CID 170488142
(Z)-4-(2-methyl-4-pyridinyl)but-3-en-2-one
CID 118346777
(Z)-3-(2-methyl-4-pyridinyl)prop-2-enenitrile
CID 86757851
2-methyl-4-[(E)-prop-1-enyl]pyridine;molecular hydrogen
CID 144650380
(E)-3-(2-methyl-4-pyridinyl)prop-2-enoic acid
CID 12799556
6-[(E)-but-1-enyl]-4-methylquinoline
CID 176872163
[2,6-bis(4-but-1-enyl-2-pyridinyl)-4-pyridinyl] formate
CID 123151259
4-but-1-enyl-1,2-dimethylbenzene
CID 54516988
2-methyl-3-(2-methyl-4-pyridinyl)prop-2-enoic acid
CID 123906623
4-[2-(5-hept-1-ynylthiophen-2-yl)ethenyl]-2-methylpyridine
CID 123485698
6-[(E)-but-1-enyl]-2-methylcyclohepta-2,4,6-trien-1-one
CID 158063432
4-[(E)-but-1-enyl]-1,2-dimethylbenzene;methanamine
CID 144895148

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-1-enyl]-2-methylpyridine;carbon dioxide?
The IUPAC name of 4-[(Z)-but-1-enyl]-2-methylpyridine;carbon dioxide (CID 157450822) is 4-[(Z)-but-1-enyl]-2-methylpyridine;carbon dioxide.
What is the SMILES notation for 4-[(Z)-but-1-enyl]-2-methylpyridine;carbon dioxide?
The canonical SMILES for 4-[(Z)-but-1-enyl]-2-methylpyridine;carbon dioxide is CC/C=C\c1ccnc(C)c1.O=C=O.
What is the InChIKey of 4-[(Z)-but-1-enyl]-2-methylpyridine;carbon dioxide?
The InChIKey is BSTYHUCXPACGLV-MKWAYWHRSA-N. The full InChI is InChI=1S/C10H13N.CO2/c1-3-4-5-10-6-7-11-9(2)8-10;2-1-3/h4-8H,3H2,1-2H3;/b5-4-;.
What are the key properties of 4-[(Z)-but-1-enyl]-2-methylpyridine;carbon dioxide?
4-[(Z)-but-1-enyl]-2-methylpyridine;carbon dioxide has a molecular weight of 191.23 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-1-enyl]-2-methylpyridine;carbon dioxide is sourced from PubChem (CID 157450822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).