2-(methylamino)-5-propan-2-ylcyclohepta-2,4,6-trien-1-one

C11H15NO — CID 102239123

IUPAC2-(methylamino)-5-propan-2-ylcyclohepta-2,4,6-trien-1-one
SMILESCNc1ccc(C(C)C)ccc1=O
InChIInChI=1S/C11H15NO/c1-8(2)9-4-6-10(12-3)11(13)7-5-9/h4-8H,1-3H3,(H,12,13)
InChIKeyIOTFEQGKZJKZTC-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.21
Rot. Bonds2

About 2-(methylamino)-5-propan-2-ylcyclohepta-2,4,6-trien-1-one

2-(methylamino)-5-propan-2-ylcyclohepta-2,4,6-trien-1-one (PubChem CID 102239123) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-(methylamino)-5-propan-2-ylcyclohepta-2,4,6-trien-1-one.

Molecular Properties

Compound Name2-(methylamino)-5-propan-2-ylcyclohepta-2,4,6-trien-1-one
PubChem CID102239123
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-(methylamino)-5-propan-2-ylcyclohepta-2,4,6-trien-1-one
SMILESCNc1ccc(C(C)C)ccc1=O
InChIInChI=1S/C11H15NO/c1-8(2)9-4-6-10(12-3)11(13)7-5-9/h4-8H,1-3H3,(H,12,13)
InChIKeyIOTFEQGKZJKZTC-UHFFFAOYSA-N
XLogP2.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-5-propan-2-ylcyclohepta-2,4,6-trien-1-one
CID 102239334
2-(methylamino)-4-propan-2-ylcyclohepta-2,4,6-trien-1-one
CID 87149252
2-(methylamino)-5-propan-2-ylbenzenethiol
CID 1482375
2-fluoro-N-methyl-4-propan-2-ylaniline
CID 58786905
2-(methylamino)-5-propan-2-ylbenzoic acid
CID 130893256
2-[2-(methylamino)-5-propan-2-ylphenoxy]acetaldehyde
CID 178062339
methylamino-(4-propan-2-ylphenyl)methanethiol
CID 116954450
1,4-di(propan-2-yl)benzene;phosphoric acid
CID 174794178
1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 71359938
methylamino-(4-propan-2-ylphenyl)methanol
CID 116954610
2-(methylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 60638794
[6-(methylamino)-7-oxo-3-propan-2-ylcyclohepta-1,3,5-trien-1-yl] benzenesulfonate
CID 102239309

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-5-propan-2-ylcyclohepta-2,4,6-trien-1-one?
The IUPAC name of 2-(methylamino)-5-propan-2-ylcyclohepta-2,4,6-trien-1-one (CID 102239123) is 2-(methylamino)-5-propan-2-ylcyclohepta-2,4,6-trien-1-one.
What is the SMILES notation for 2-(methylamino)-5-propan-2-ylcyclohepta-2,4,6-trien-1-one?
The canonical SMILES for 2-(methylamino)-5-propan-2-ylcyclohepta-2,4,6-trien-1-one is CNc1ccc(C(C)C)ccc1=O.
What is the InChIKey of 2-(methylamino)-5-propan-2-ylcyclohepta-2,4,6-trien-1-one?
The InChIKey is IOTFEQGKZJKZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8(2)9-4-6-10(12-3)11(13)7-5-9/h4-8H,1-3H3,(H,12,13).
What are the key properties of 2-(methylamino)-5-propan-2-ylcyclohepta-2,4,6-trien-1-one?
2-(methylamino)-5-propan-2-ylcyclohepta-2,4,6-trien-1-one has a molecular weight of 177.25 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-5-propan-2-ylcyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 102239123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).