1-[(2-ethenylcyclohexen-1-yl)-methylamino]propan-2-one

C12H19NO — CID 143925626

IUPAC1-[(2-ethenylcyclohexen-1-yl)-methylamino]propan-2-one
SMILESC=CC1=C(N(C)CC(C)=O)CCCC1
InChIInChI=1S/C12H19NO/c1-4-11-7-5-6-8-12(11)13(3)9-10(2)14/h4H,1,5-9H2,2-3H3
InChIKeyPWIMZUQNPOIZKM-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.52
Rot. Bonds4

About 1-[(2-ethenylcyclohexen-1-yl)-methylamino]propan-2-one

1-[(2-ethenylcyclohexen-1-yl)-methylamino]propan-2-one (PubChem CID 143925626) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-[(2-ethenylcyclohexen-1-yl)-methylamino]propan-2-one.

Molecular Properties

Compound Name1-[(2-ethenylcyclohexen-1-yl)-methylamino]propan-2-one
PubChem CID143925626
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-[(2-ethenylcyclohexen-1-yl)-methylamino]propan-2-one
SMILESC=CC1=C(N(C)CC(C)=O)CCCC1
InChIInChI=1S/C12H19NO/c1-4-11-7-5-6-8-12(11)13(3)9-10(2)14/h4H,1,5-9H2,2-3H3
InChIKeyPWIMZUQNPOIZKM-UHFFFAOYSA-N
XLogP2.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-ethenylcyclohexen-1-yl)-methylamino]propan-2-one;molecular hydrogen
CID 143925702
(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)-methylcarbamic acid
CID 163604347
1-ethenyl-2-[(Z)-2-methylbut-1-enyl]cyclohexene
CID 142010020
1-cyclohexylidene-3-(dimethylamino)propan-2-one
CID 69155860
1-(4-hydroxy-N-methylanilino)propan-2-one
CID 12814770
1-[amino(ethenyl)amino]propan-2-one
CID 123506750
1-cyclohexylidene-5-methylhex-5-en-2-one
CID 103457861
1-(4-cyclohexyl-N-methylanilino)propan-2-one
CID 115234545
1-ethenyl-2-methylcyclopentene
CID 123848216
1-cyclopentylidenepropan-2-one
CID 4227745
(2R,4S)-4-hydroxy-N,N,2-trimethylhex-5-enamide
CID 134872524
1-(2-ethenylcyclopenten-1-yl)-2-methylbut-3-en-1-ol
CID 121015901

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethenylcyclohexen-1-yl)-methylamino]propan-2-one?
The IUPAC name of 1-[(2-ethenylcyclohexen-1-yl)-methylamino]propan-2-one (CID 143925626) is 1-[(2-ethenylcyclohexen-1-yl)-methylamino]propan-2-one.
What is the SMILES notation for 1-[(2-ethenylcyclohexen-1-yl)-methylamino]propan-2-one?
The canonical SMILES for 1-[(2-ethenylcyclohexen-1-yl)-methylamino]propan-2-one is C=CC1=C(N(C)CC(C)=O)CCCC1.
What is the InChIKey of 1-[(2-ethenylcyclohexen-1-yl)-methylamino]propan-2-one?
The InChIKey is PWIMZUQNPOIZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-11-7-5-6-8-12(11)13(3)9-10(2)14/h4H,1,5-9H2,2-3H3.
What are the key properties of 1-[(2-ethenylcyclohexen-1-yl)-methylamino]propan-2-one?
1-[(2-ethenylcyclohexen-1-yl)-methylamino]propan-2-one has a molecular weight of 193.29 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethenylcyclohexen-1-yl)-methylamino]propan-2-one is sourced from PubChem (CID 143925626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).