2-(aziridin-1-yl)-2-cyclohex-3-en-1-yl-1-pyrrolidin-1-ylethanone

C14H22N2O — CID 143567146

IUPAC2-(aziridin-1-yl)-2-cyclohex-3-en-1-yl-1-pyrrolidin-1-ylethanone
SMILESO=C(C(C1CC=CCC1)N1CC1)N1CCCC1
InChIInChI=1S/C14H22N2O/c17-14(16-8-4-5-9-16)13(15-10-11-15)12-6-2-1-3-7-12/h1-2,12-13H,3-11H2
InChIKeyYULXVZSULSXOKO-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.65
Rot. Bonds3

About 2-(aziridin-1-yl)-2-cyclohex-3-en-1-yl-1-pyrrolidin-1-ylethanone

2-(aziridin-1-yl)-2-cyclohex-3-en-1-yl-1-pyrrolidin-1-ylethanone (PubChem CID 143567146) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(aziridin-1-yl)-2-cyclohex-3-en-1-yl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(aziridin-1-yl)-2-cyclohex-3-en-1-yl-1-pyrrolidin-1-ylethanone
PubChem CID143567146
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(aziridin-1-yl)-2-cyclohex-3-en-1-yl-1-pyrrolidin-1-ylethanone
SMILESO=C(C(C1CC=CCC1)N1CC1)N1CCCC1
InChIInChI=1S/C14H22N2O/c17-14(16-8-4-5-9-16)13(15-10-11-15)12-6-2-1-3-7-12/h1-2,12-13H,3-11H2
InChIKeyYULXVZSULSXOKO-UHFFFAOYSA-N
XLogP1.65
TPSA23.32 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentyl-1-piperidin-1-ylethanone
CID 24719805
1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-methylbutan-1-one
CID 24719217
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-1-piperidin-1-ylethanone
CID 46023982
1-[4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 93208810
(1R,2R)-1,2-di(cyclohex-3-en-1-yl)ethane-1,2-diol
CID 102217580
(2S)-1-[(3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-cyclopropyl-2-pyrrolidin-1-ylethanone
CID 124856845
1-[4-[(1S)-1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 93210582
(E)-1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 42842736
N-(3-chlorophenyl)-4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 46027273
1-cyclohex-3-en-1-yl-1-hydroxypropan-2-one
CID 130026688
(2R)-2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 93208208
4-(1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl)-N-prop-2-enylpiperazine-1-carboxamide
CID 46027291

Frequently Asked Questions

What is the IUPAC name of 2-(aziridin-1-yl)-2-cyclohex-3-en-1-yl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(aziridin-1-yl)-2-cyclohex-3-en-1-yl-1-pyrrolidin-1-ylethanone (CID 143567146) is 2-(aziridin-1-yl)-2-cyclohex-3-en-1-yl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(aziridin-1-yl)-2-cyclohex-3-en-1-yl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(aziridin-1-yl)-2-cyclohex-3-en-1-yl-1-pyrrolidin-1-ylethanone is O=C(C(C1CC=CCC1)N1CC1)N1CCCC1.
What is the InChIKey of 2-(aziridin-1-yl)-2-cyclohex-3-en-1-yl-1-pyrrolidin-1-ylethanone?
The InChIKey is YULXVZSULSXOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c17-14(16-8-4-5-9-16)13(15-10-11-15)12-6-2-1-3-7-12/h1-2,12-13H,3-11H2.
What are the key properties of 2-(aziridin-1-yl)-2-cyclohex-3-en-1-yl-1-pyrrolidin-1-ylethanone?
2-(aziridin-1-yl)-2-cyclohex-3-en-1-yl-1-pyrrolidin-1-ylethanone has a molecular weight of 234.34 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aziridin-1-yl)-2-cyclohex-3-en-1-yl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 143567146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).