1-(cyclohexen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one

C19H24O — CID 116659683

IUPAC1-(cyclohexen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
SMILESO=C(CC1=CCCCC1)CC1CCCc2ccccc21
InChIInChI=1S/C19H24O/c20-18(13-15-7-2-1-3-8-15)14-17-11-6-10-16-9-4-5-12-19(16)17/h4-5,7,9,12,17H,1-3,6,8,10-11,13-14H2
InChIKeyMOVAGCZDGQPNAA-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.96
Rot. Bonds4

About 1-(cyclohexen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one

1-(cyclohexen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one (PubChem CID 116659683) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
PubChem CID116659683
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name1-(cyclohexen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
SMILESO=C(CC1=CCCCC1)CC1CCCc2ccccc21
InChIInChI=1S/C19H24O/c20-18(13-15-7-2-1-3-8-15)14-17-11-6-10-16-9-4-5-12-19(16)17/h4-5,7,9,12,17H,1-3,6,8,10-11,13-14H2
InChIKeyMOVAGCZDGQPNAA-UHFFFAOYSA-N
XLogP4.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(cyclopentylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116558983
1-methylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 63772473
1-(3-bromophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 63770747
1-(ethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116562462
4-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 105082812
4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 114964228
7-amino-5,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-one
CID 116574746
1-(butan-2-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116556095
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
1-(4-aminocyclopent-2-en-1-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 116584802
5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid
CID 71387603
3-methoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 79197981

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one?
The IUPAC name of 1-(cyclohexen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one (CID 116659683) is 1-(cyclohexen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one is O=C(CC1=CCCCC1)CC1CCCc2ccccc21.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one?
The InChIKey is MOVAGCZDGQPNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c20-18(13-15-7-2-1-3-8-15)14-17-11-6-10-16-9-4-5-12-19(16)17/h4-5,7,9,12,17H,1-3,6,8,10-11,13-14H2.
What are the key properties of 1-(cyclohexen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one?
1-(cyclohexen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one has a molecular weight of 268.40 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one is sourced from PubChem (CID 116659683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).