9-[(1R,2R)-2-phenylcyclopropanecarbonyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one

C22H28N2O2 — CID 72922695

IUPAC9-[(1R,2R)-2-phenylcyclopropanecarbonyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESC=CCN1CC2(CCC1=O)CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)CC2
InChIInChI=1S/C22H28N2O2/c1-2-12-24-16-22(9-8-20(24)25)10-13-23(14-11-22)21(26)19-15-18(19)17-6-4-3-5-7-17/h2-7,18-19H,1,8-16H2/t18-,19+/m0/s1
InChIKeyZCEKPICDYQHRBY-RBUKOAKNSA-N
MW352.48 g/mol
LogP3.21
Rot. Bonds4

About 9-[(1R,2R)-2-phenylcyclopropanecarbonyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one

9-[(1R,2R)-2-phenylcyclopropanecarbonyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72922695) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 9-[(1R,2R)-2-phenylcyclopropanecarbonyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[(1R,2R)-2-phenylcyclopropanecarbonyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72922695
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name9-[(1R,2R)-2-phenylcyclopropanecarbonyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESC=CCN1CC2(CCC1=O)CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)CC2
InChIInChI=1S/C22H28N2O2/c1-2-12-24-16-22(9-8-20(24)25)10-13-23(14-11-22)21(26)19-15-18(19)17-6-4-3-5-7-17/h2-7,18-19H,1,8-16H2/t18-,19+/m0/s1
InChIKeyZCEKPICDYQHRBY-RBUKOAKNSA-N
XLogP3.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[(1R,2R)-2-phenylcyclopropanecarbonyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[(1R,2R)-2-phenylcyclopropanecarbonyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one (CID 72922695) is 9-[(1R,2R)-2-phenylcyclopropanecarbonyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[(1R,2R)-2-phenylcyclopropanecarbonyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[(1R,2R)-2-phenylcyclopropanecarbonyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one is C=CCN1CC2(CCC1=O)CCN(C(=O)[C@@H]1C[C@H]1c1ccccc1)CC2.
What is the InChIKey of 9-[(1R,2R)-2-phenylcyclopropanecarbonyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is ZCEKPICDYQHRBY-RBUKOAKNSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-2-12-24-16-22(9-8-20(24)25)10-13-23(14-11-22)21(26)19-15-18(19)17-6-4-3-5-7-17/h2-7,18-19H,1,8-16H2/t18-,19+/m0/s1.
What are the key properties of 9-[(1R,2R)-2-phenylcyclopropanecarbonyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one?
9-[(1R,2R)-2-phenylcyclopropanecarbonyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 352.48 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1R,2R)-2-phenylcyclopropanecarbonyl]-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72922695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).