1-cyclohexa-1,3-dien-1-ylethanone;N-methylmethanamine

C10H17NO — CID 143915057

IUPAC1-cyclohexa-1,3-dien-1-ylethanone;N-methylmethanamine
SMILESCC(=O)C1=CC=CCC1.CNC
InChIInChI=1S/C8H10O.C2H7N/c1-7(9)8-5-3-2-4-6-8;1-3-2/h2-3,5H,4,6H2,1H3;3H,1-2H3
InChIKeyNAFFKBPUQKLFPX-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.69
Rot. Bonds1

About 1-cyclohexa-1,3-dien-1-ylethanone;N-methylmethanamine

1-cyclohexa-1,3-dien-1-ylethanone;N-methylmethanamine (PubChem CID 143915057) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-ylethanone;N-methylmethanamine.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-ylethanone;N-methylmethanamine
PubChem CID143915057
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-cyclohexa-1,3-dien-1-ylethanone;N-methylmethanamine
SMILESCC(=O)C1=CC=CCC1.CNC
InChIInChI=1S/C8H10O.C2H7N/c1-7(9)8-5-3-2-4-6-8;1-3-2/h2-3,5H,4,6H2,1H3;3H,1-2H3
InChIKeyNAFFKBPUQKLFPX-UHFFFAOYSA-N
XLogP1.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

carbon monoxide;1-cyclohexa-1,3-dien-1-ylethanone;iron
CID 11043549
cyclohexa-1,3-diene-1-carboxylic acid;iron;hydrochloride
CID 67301539
1-cyclohexa-1,3-dien-1-yl-N-methylethanimine
CID 59809510
3-chloro-N-methylcycloocta-1,3,5-triene-1-carboxamide
CID 123237783
amino cyclohexa-1,3-diene-1-carboxylate
CID 163575650
methyl (1E,3E)-cyclotetradeca-1,3-diene-1-carboxylate
CID 10988724
N-(4-methylcyclohexyl)cyclohexa-1,3-diene-1-carboxamide
CID 123250994
1-(6-acetylcyclohepta-1,3,5-trien-1-yl)ethanone
CID 11378812
1-(5-methylcyclohepta-1,3-dien-1-yl)ethanone
CID 91374956
cyclohexa-1,3-dien-1-yl-(5-methylthiophen-2-yl)methanone;ethane
CID 142848722
S-[(E)-but-2-enyl] cyclohexa-1,3-diene-1-carbothioate
CID 15369277
cyclohexa-1,3-dien-1-yl-(4,5-dimethylcyclohexa-1,3-dien-1-yl)methanone
CID 143897034

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-ylethanone;N-methylmethanamine?
The IUPAC name of 1-cyclohexa-1,3-dien-1-ylethanone;N-methylmethanamine (CID 143915057) is 1-cyclohexa-1,3-dien-1-ylethanone;N-methylmethanamine.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-ylethanone;N-methylmethanamine?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-ylethanone;N-methylmethanamine is CC(=O)C1=CC=CCC1.CNC.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-ylethanone;N-methylmethanamine?
The InChIKey is NAFFKBPUQKLFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C2H7N/c1-7(9)8-5-3-2-4-6-8;1-3-2/h2-3,5H,4,6H2,1H3;3H,1-2H3.
What are the key properties of 1-cyclohexa-1,3-dien-1-ylethanone;N-methylmethanamine?
1-cyclohexa-1,3-dien-1-ylethanone;N-methylmethanamine has a molecular weight of 167.25 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-ylethanone;N-methylmethanamine is sourced from PubChem (CID 143915057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).