1-[4-methyl-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone

C11H17NO — CID 89259005

IUPAC1-[4-methyl-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESC/C=C\C1=C(C)CCN(C(C)=O)C1
InChIInChI=1S/C11H17NO/c1-4-5-11-8-12(10(3)13)7-6-9(11)2/h4-5H,6-8H2,1-3H3/b5-4-
InChIKeyQXVBJJGWAJPBBJ-PLNGDYQASA-N
MW179.26 g/mol
LogP2.13
Rot. Bonds1

About 1-[4-methyl-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone

1-[4-methyl-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 89259005) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-[4-methyl-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID89259005
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-[4-methyl-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESC/C=C\C1=C(C)CCN(C(C)=O)C1
InChIInChI=1S/C11H17NO/c1-4-5-11-8-12(10(3)13)7-6-9(11)2/h4-5H,6-8H2,1-3H3/b5-4-
InChIKeyQXVBJJGWAJPBBJ-PLNGDYQASA-N
XLogP2.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[4-methyl-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 89259005) is 1-[4-methyl-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[4-methyl-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone is C/C=C\C1=C(C)CCN(C(C)=O)C1.
What is the InChIKey of 1-[4-methyl-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is QXVBJJGWAJPBBJ-PLNGDYQASA-N. The full InChI is InChI=1S/C11H17NO/c1-4-5-11-8-12(10(3)13)7-6-9(11)2/h4-5H,6-8H2,1-3H3/b5-4-.
What are the key properties of 1-[4-methyl-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
1-[4-methyl-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 179.26 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 89259005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).