9-(2,3-dihydro-1H-indene-1-carbonyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one

C22H28N2O2 — CID 72854422

IUPAC9-(2,3-dihydro-1H-indene-1-carbonyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESC=CCN1CC2(CCC1=O)CCN(C(=O)C1CCc3ccccc31)CC2
InChIInChI=1S/C22H28N2O2/c1-2-13-24-16-22(10-9-20(24)25)11-14-23(15-12-22)21(26)19-8-7-17-5-3-4-6-18(17)19/h2-6,19H,1,7-16H2
InChIKeyHJXRGNSQXVJCSR-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.13
Rot. Bonds3

About 9-(2,3-dihydro-1H-indene-1-carbonyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one

9-(2,3-dihydro-1H-indene-1-carbonyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72854422) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 9-(2,3-dihydro-1H-indene-1-carbonyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(2,3-dihydro-1H-indene-1-carbonyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72854422
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name9-(2,3-dihydro-1H-indene-1-carbonyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESC=CCN1CC2(CCC1=O)CCN(C(=O)C1CCc3ccccc31)CC2
InChIInChI=1S/C22H28N2O2/c1-2-13-24-16-22(10-9-20(24)25)11-14-23(15-12-22)21(26)19-8-7-17-5-3-4-6-18(17)19/h2-6,19H,1,7-16H2
InChIKeyHJXRGNSQXVJCSR-UHFFFAOYSA-N
XLogP3.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.13
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-(2,3-dihydro-1H-indene-1-carbonyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(2,3-dihydro-1H-indene-1-carbonyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one (CID 72854422) is 9-(2,3-dihydro-1H-indene-1-carbonyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(2,3-dihydro-1H-indene-1-carbonyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(2,3-dihydro-1H-indene-1-carbonyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one is C=CCN1CC2(CCC1=O)CCN(C(=O)C1CCc3ccccc31)CC2.
What is the InChIKey of 9-(2,3-dihydro-1H-indene-1-carbonyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is HJXRGNSQXVJCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-2-13-24-16-22(10-9-20(24)25)11-14-23(15-12-22)21(26)19-8-7-17-5-3-4-6-18(17)19/h2-6,19H,1,7-16H2.
What are the key properties of 9-(2,3-dihydro-1H-indene-1-carbonyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one?
9-(2,3-dihydro-1H-indene-1-carbonyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 352.48 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,3-dihydro-1H-indene-1-carbonyl)-2-prop-2-enyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72854422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).