(3R)-3-[1-(5-propan-2-ylcyclohexen-1-yl)ethenylamino]butan-2-one

C15H25NO — CID 118964483

IUPAC(3R)-3-[1-(5-propan-2-ylcyclohexen-1-yl)ethenylamino]butan-2-one
SMILESC=C(N[C@H](C)C(C)=O)C1=CCCC(C(C)C)C1
InChIInChI=1S/C15H25NO/c1-10(2)14-7-6-8-15(9-14)12(4)16-11(3)13(5)17/h8,10-11,14,16H,4,6-7,9H2,1-3,5H3/t11-,14?/m1/s1
InChIKeyIQRZTGXTULEBSA-YNODCEANSA-N
MW235.37 g/mol
LogP3.45
Rot. Bonds5

About (3R)-3-[1-(5-propan-2-ylcyclohexen-1-yl)ethenylamino]butan-2-one

(3R)-3-[1-(5-propan-2-ylcyclohexen-1-yl)ethenylamino]butan-2-one (PubChem CID 118964483) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (3R)-3-[1-(5-propan-2-ylcyclohexen-1-yl)ethenylamino]butan-2-one.

Molecular Properties

Compound Name(3R)-3-[1-(5-propan-2-ylcyclohexen-1-yl)ethenylamino]butan-2-one
PubChem CID118964483
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(3R)-3-[1-(5-propan-2-ylcyclohexen-1-yl)ethenylamino]butan-2-one
SMILESC=C(N[C@H](C)C(C)=O)C1=CCCC(C(C)C)C1
InChIInChI=1S/C15H25NO/c1-10(2)14-7-6-8-15(9-14)12(4)16-11(3)13(5)17/h8,10-11,14,16H,4,6-7,9H2,1-3,5H3/t11-,14?/m1/s1
InChIKeyIQRZTGXTULEBSA-YNODCEANSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraen-6-yl)ethanone
CID 70523941
1-[3-(3,6-Dimethylcyclohexen-1-yl)butan-2-ylamino]propan-2-one
CID 70993166
(3S)-4-(6-methylcyclohexa-1,3-dien-1-yl)-3-[[(3S)-3-methylhept-1-en-2-yl]amino]butan-2-one
CID 89305985
(3E,4S)-3-ethylidene-4-methyl-1-[[(3Z,5Z)-4-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]hepta-1,3,5-trien-3-yl]amino]hexan-2-one
CID 89336103
(3S)-3-[[(3S,4E)-3,4-dimethylhepta-1,4,6-trien-2-yl]amino]butan-2-one
CID 130425765
1-(2,6-Dimethylcyclohexa-2,4-dien-1-yl)-2-[(2-methylcyclohexyl)amino]ethanone
CID 138509765
4-Cyclohexa-1,5-dien-1-yl-4-methyl-3-(3-methylbut-1-en-2-ylamino)pentan-2-one
CID 138717346
5-methyl-3-[[(E)-6-methyloct-3-en-4-yl]amino]hexan-2-one
CID 139438502
1-[(7E)-3-methyl-7-(methylamino)-4-[(Z)-prop-1-enyl]-1,2,3,4,4a,9-hexahydrocycloocta[b]pyridin-2-yl]ethanone
CID 143018043
1-(2-Ethyl-1,2-dihydropyridin-4-yl)-3-methylpentan-2-one
CID 154965181
2-propan-2-yl-2,3,4,7-tetrahydro-1H-quinolin-8-one
CID 156694442
ethane;1-[5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrrol-2-yl]-2-methylpropan-1-one
CID 163241796

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[1-(5-propan-2-ylcyclohexen-1-yl)ethenylamino]butan-2-one?
The IUPAC name of (3R)-3-[1-(5-propan-2-ylcyclohexen-1-yl)ethenylamino]butan-2-one (CID 118964483) is (3R)-3-[1-(5-propan-2-ylcyclohexen-1-yl)ethenylamino]butan-2-one.
What is the SMILES notation for (3R)-3-[1-(5-propan-2-ylcyclohexen-1-yl)ethenylamino]butan-2-one?
The canonical SMILES for (3R)-3-[1-(5-propan-2-ylcyclohexen-1-yl)ethenylamino]butan-2-one is C=C(N[C@H](C)C(C)=O)C1=CCCC(C(C)C)C1.
What is the InChIKey of (3R)-3-[1-(5-propan-2-ylcyclohexen-1-yl)ethenylamino]butan-2-one?
The InChIKey is IQRZTGXTULEBSA-YNODCEANSA-N. The full InChI is InChI=1S/C15H25NO/c1-10(2)14-7-6-8-15(9-14)12(4)16-11(3)13(5)17/h8,10-11,14,16H,4,6-7,9H2,1-3,5H3/t11-,14?/m1/s1.
What are the key properties of (3R)-3-[1-(5-propan-2-ylcyclohexen-1-yl)ethenylamino]butan-2-one?
(3R)-3-[1-(5-propan-2-ylcyclohexen-1-yl)ethenylamino]butan-2-one has a molecular weight of 235.37 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[1-(5-propan-2-ylcyclohexen-1-yl)ethenylamino]butan-2-one is sourced from PubChem (CID 118964483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).