9-(cyclohex-3-ene-1-carbonyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one

C19H28N2O2 — CID 72847112

IUPAC9-(cyclohex-3-ene-1-carbonyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESC=CCN1CC2(CCC1=O)CCN(C(=O)C1CC=CCC1)CC2
InChIInChI=1S/C19H28N2O2/c1-2-12-21-15-19(9-8-17(21)22)10-13-20(14-11-19)18(23)16-6-4-3-5-7-16/h2-4,16H,1,5-15H2
InChIKeyUYERAQRBRVHFAK-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.76
Rot. Bonds3

About 9-(cyclohex-3-ene-1-carbonyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one

9-(cyclohex-3-ene-1-carbonyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72847112) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 9-(cyclohex-3-ene-1-carbonyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(cyclohex-3-ene-1-carbonyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72847112
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name9-(cyclohex-3-ene-1-carbonyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESC=CCN1CC2(CCC1=O)CCN(C(=O)C1CC=CCC1)CC2
InChIInChI=1S/C19H28N2O2/c1-2-12-21-15-19(9-8-17(21)22)10-13-20(14-11-19)18(23)16-6-4-3-5-7-16/h2-4,16H,1,5-15H2
InChIKeyUYERAQRBRVHFAK-UHFFFAOYSA-N
XLogP2.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(Cyclohex-3-enecarbonyl)-piperazin-1-yl]-cyclohex-3-enyl-methanone
CID 3133172
[1-(Cyclohex-3-en-1-ylmethyl)piperidin-4-yl](3-methylpiperidin-1-yl)methanone
CID 655246
Cambridge id 6578492
CID 3655508
9-(3-Cyclohexen-1-ylcarbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72857269
Cyclohex-4-ene-1,2 diylbis(piperidin-1-yl-methanone)
CID 264701
1-{3-[1-(3-Cyclohexen-1-ylmethyl)-4-piperidinyl]propanoyl}-4-ethylpiperazine
CID 45236580
9-(Cyclopent-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98896146
1-(3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-yl)-5-(4-methylpiperidin-1-yl)pentane-1,5-dione
CID 66794131
1,5-bis(3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-yl)pentane-1,5-dione
CID 66794168
1-(3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-yl)-6-(4-methylpiperidin-1-yl)hexane-1,6-dione
CID 66794251
1-(3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-yl)-6-(4-oxopiperidin-1-yl)hexane-1,6-dione
CID 66794415
1,6-bis(3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-yl)hexane-1,6-dione
CID 66794451

Frequently Asked Questions

What is the IUPAC name of 9-(cyclohex-3-ene-1-carbonyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(cyclohex-3-ene-1-carbonyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one (CID 72847112) is 9-(cyclohex-3-ene-1-carbonyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(cyclohex-3-ene-1-carbonyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(cyclohex-3-ene-1-carbonyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one is C=CCN1CC2(CCC1=O)CCN(C(=O)C1CC=CCC1)CC2.
What is the InChIKey of 9-(cyclohex-3-ene-1-carbonyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is UYERAQRBRVHFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-2-12-21-15-19(9-8-17(21)22)10-13-20(14-11-19)18(23)16-6-4-3-5-7-16/h2-4,16H,1,5-15H2.
What are the key properties of 9-(cyclohex-3-ene-1-carbonyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one?
9-(cyclohex-3-ene-1-carbonyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 316.44 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclohex-3-ene-1-carbonyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72847112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).