1-[1-(4-tert-butylcyclohexen-1-yl)ethenyl]pyrrolidin-2-one

C16H25NO — CID 11831767

IUPAC1-[1-(4-tert-butylcyclohexen-1-yl)ethenyl]pyrrolidin-2-one
SMILESC=C(C1=CCC(C(C)(C)C)CC1)N1CCCC1=O
InChIInChI=1S/C16H25NO/c1-12(17-11-5-6-15(17)18)13-7-9-14(10-8-13)16(2,3)4/h7,14H,1,5-6,8-11H2,2-4H3
InChIKeyVLCOGKUOCQGCBM-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.90
Rot. Bonds2

About 1-[1-(4-tert-butylcyclohexen-1-yl)ethenyl]pyrrolidin-2-one

1-[1-(4-tert-butylcyclohexen-1-yl)ethenyl]pyrrolidin-2-one (PubChem CID 11831767) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[1-(4-tert-butylcyclohexen-1-yl)ethenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(4-tert-butylcyclohexen-1-yl)ethenyl]pyrrolidin-2-one
PubChem CID11831767
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[1-(4-tert-butylcyclohexen-1-yl)ethenyl]pyrrolidin-2-one
SMILESC=C(C1=CCC(C(C)(C)C)CC1)N1CCCC1=O
InChIInChI=1S/C16H25NO/c1-12(17-11-5-6-15(17)18)13-7-9-14(10-8-13)16(2,3)4/h7,14H,1,5-6,8-11H2,2-4H3
InChIKeyVLCOGKUOCQGCBM-UHFFFAOYSA-N
XLogP3.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-tert-butylcyclohexen-1-yl)ethenyl]-N-methylacetamide
CID 11031848
1-[1-(4-Tert-butylcyclohexen-1-yl)ethenyl]azepan-2-one
CID 11780770
3-butan-2-yl-1-ethyl-5-(1-fluoroethenyl)-3-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrol-2-one
CID 177033249
Hexamethyl-indole-2-one
CID 129848260
(4R,5R)-4-methyl-2-prop-2-enyl-6-pyrrolidin-1-yl-2-azaspiro[4.5]dec-6-en-1-one
CID 10707497
1-ethylspiro[3aH-cyclohepta[b]pyrrole-3,7'-bicyclo[4.1.0]hepta-2,4-diene]-2-one
CID 15213202
1-(5-Methylcyclohexen-1-yl)pyrrolidin-2-one
CID 54531759
6-[2-(diethylamino)ethyl]-2-methyl-3a,10,10a,10c-tetrahydro-1H-pyrrolo[3,4-c]carbazol-3-one
CID 70900637
1,4,4-trimethyl-3a,4,5,6-tetrahydro-1H-indol-2(3H)-one
CID 90388765
1-[(4E)-4-(1-phosphanylethylidene)cyclohexa-1,5-dien-1-yl]-4,4-dipropylpyrrolidin-2-one
CID 90738814
4-Methyl-4-azatricyclo[7.7.0.03,7]hexadeca-2,7-dien-5-one
CID 90916315
1-[1-(3-Ethyl-3-methylcyclohepta-1,4,6-trien-1-yl)-4-methylcyclohexyl]pyrrolidin-2-one
CID 90934267

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-tert-butylcyclohexen-1-yl)ethenyl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(4-tert-butylcyclohexen-1-yl)ethenyl]pyrrolidin-2-one (CID 11831767) is 1-[1-(4-tert-butylcyclohexen-1-yl)ethenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(4-tert-butylcyclohexen-1-yl)ethenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(4-tert-butylcyclohexen-1-yl)ethenyl]pyrrolidin-2-one is C=C(C1=CCC(C(C)(C)C)CC1)N1CCCC1=O.
What is the InChIKey of 1-[1-(4-tert-butylcyclohexen-1-yl)ethenyl]pyrrolidin-2-one?
The InChIKey is VLCOGKUOCQGCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(17-11-5-6-15(17)18)13-7-9-14(10-8-13)16(2,3)4/h7,14H,1,5-6,8-11H2,2-4H3.
What are the key properties of 1-[1-(4-tert-butylcyclohexen-1-yl)ethenyl]pyrrolidin-2-one?
1-[1-(4-tert-butylcyclohexen-1-yl)ethenyl]pyrrolidin-2-one has a molecular weight of 247.38 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-tert-butylcyclohexen-1-yl)ethenyl]pyrrolidin-2-one is sourced from PubChem (CID 11831767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).