1-[(6Z)-4-methyl-6-pyrrolidin-2-ylidenecyclohexa-2,4-dien-1-yl]ethanone

C13H17NO — CID 70572792

IUPAC1-[(6Z)-4-methyl-6-pyrrolidin-2-ylidenecyclohexa-2,4-dien-1-yl]ethanone
SMILESCC(=O)C1C=CC(C)=C/C1=C1\CCCN1
InChIInChI=1S/C13H17NO/c1-9-5-6-11(10(2)15)12(8-9)13-4-3-7-14-13/h5-6,8,11,14H,3-4,7H2,1-2H3/b13-12-
InChIKeyLABXQLXTELKSMQ-SEYXRHQNSA-N
MW203.28 g/mol
LogP2.35
Rot. Bonds1

About 1-[(6Z)-4-methyl-6-pyrrolidin-2-ylidenecyclohexa-2,4-dien-1-yl]ethanone

1-[(6Z)-4-methyl-6-pyrrolidin-2-ylidenecyclohexa-2,4-dien-1-yl]ethanone (PubChem CID 70572792) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-[(6Z)-4-methyl-6-pyrrolidin-2-ylidenecyclohexa-2,4-dien-1-yl]ethanone.

Molecular Properties

Compound Name1-[(6Z)-4-methyl-6-pyrrolidin-2-ylidenecyclohexa-2,4-dien-1-yl]ethanone
PubChem CID70572792
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1-[(6Z)-4-methyl-6-pyrrolidin-2-ylidenecyclohexa-2,4-dien-1-yl]ethanone
SMILESCC(=O)C1C=CC(C)=C/C1=C1\CCCN1
InChIInChI=1S/C13H17NO/c1-9-5-6-11(10(2)15)12(8-9)13-4-3-7-14-13/h5-6,8,11,14H,3-4,7H2,1-2H3/b13-12-
InChIKeyLABXQLXTELKSMQ-SEYXRHQNSA-N
XLogP2.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(6Z)-4-methyl-6-pyrrolidin-2-ylidenecyclohexa-2,4-dien-1-yl]ethanone?
The IUPAC name of 1-[(6Z)-4-methyl-6-pyrrolidin-2-ylidenecyclohexa-2,4-dien-1-yl]ethanone (CID 70572792) is 1-[(6Z)-4-methyl-6-pyrrolidin-2-ylidenecyclohexa-2,4-dien-1-yl]ethanone.
What is the SMILES notation for 1-[(6Z)-4-methyl-6-pyrrolidin-2-ylidenecyclohexa-2,4-dien-1-yl]ethanone?
The canonical SMILES for 1-[(6Z)-4-methyl-6-pyrrolidin-2-ylidenecyclohexa-2,4-dien-1-yl]ethanone is CC(=O)C1C=CC(C)=C/C1=C1\CCCN1.
What is the InChIKey of 1-[(6Z)-4-methyl-6-pyrrolidin-2-ylidenecyclohexa-2,4-dien-1-yl]ethanone?
The InChIKey is LABXQLXTELKSMQ-SEYXRHQNSA-N. The full InChI is InChI=1S/C13H17NO/c1-9-5-6-11(10(2)15)12(8-9)13-4-3-7-14-13/h5-6,8,11,14H,3-4,7H2,1-2H3/b13-12-.
What are the key properties of 1-[(6Z)-4-methyl-6-pyrrolidin-2-ylidenecyclohexa-2,4-dien-1-yl]ethanone?
1-[(6Z)-4-methyl-6-pyrrolidin-2-ylidenecyclohexa-2,4-dien-1-yl]ethanone has a molecular weight of 203.28 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6Z)-4-methyl-6-pyrrolidin-2-ylidenecyclohexa-2,4-dien-1-yl]ethanone is sourced from PubChem (CID 70572792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).