3-oxo-3-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]propanenitrile

C14H21N3O — CID 97393465

IUPAC3-oxo-3-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]propanenitrile
SMILESC=CCN1CCC[C@]12CCCN(C(=O)CC#N)C2
InChIInChI=1S/C14H21N3O/c1-2-9-17-11-4-7-14(17)6-3-10-16(12-14)13(18)5-8-15/h2H,1,3-7,9-12H2/t14-/m0/s1
InChIKeyRGBJIASSFMSIQD-AWEZNQCLSA-N
MW247.34 g/mol
LogP1.54
Rot. Bonds3

About 3-oxo-3-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]propanenitrile

3-oxo-3-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]propanenitrile (PubChem CID 97393465) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-oxo-3-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]propanenitrile.

Molecular Properties

Compound Name3-oxo-3-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]propanenitrile
PubChem CID97393465
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-oxo-3-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]propanenitrile
SMILESC=CCN1CCC[C@]12CCCN(C(=O)CC#N)C2
InChIInChI=1S/C14H21N3O/c1-2-9-17-11-4-7-14(17)6-3-10-16(12-14)13(18)5-8-15/h2H,1,3-7,9-12H2/t14-/m0/s1
InChIKeyRGBJIASSFMSIQD-AWEZNQCLSA-N
XLogP1.54
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-2-thiophen-3-ylethanone
CID 97393443
(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)-(4-propylphenyl)methanone
CID 131648719
[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-(1H-pyrrol-2-yl)methanone
CID 97481759
(5-methylpyrazin-2-yl)-(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)methanone
CID 134074791
3-(2-azaspiro[4.4]nonan-2-yl)-3-oxopropanenitrile
CID 130168272
3-(5-azaspiro[2.4]heptan-5-yl)-3-oxopropanenitrile
CID 130256652
(5S)-N-(3-ethylphenyl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane-9-carboxamide
CID 97481852
(6-chloroimidazo[1,2-a]pyridin-2-yl)-(1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl)methanone
CID 131690978
N-(3-methoxyphenyl)-1-prop-2-enyl-1,9-diazaspiro[4.5]decane-9-carboxamide
CID 131661531
9-(4-fluorophenyl)sulfonyl-1-prop-2-enyl-1,9-diazaspiro[4.5]decane
CID 131644737
3-(7a-ethenyl-6-methyl-3,4,4a,5,6,7-hexahydro-1H-cyclopenta[c]pyridin-2-yl)-3-oxopropanenitrile
CID 123566069
3-(3,3-dimethylazetidin-1-yl)-3-oxopropanenitrile
CID 130659310

Frequently Asked Questions

What is the IUPAC name of 3-oxo-3-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]propanenitrile?
The IUPAC name of 3-oxo-3-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]propanenitrile (CID 97393465) is 3-oxo-3-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]propanenitrile.
What is the SMILES notation for 3-oxo-3-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]propanenitrile?
The canonical SMILES for 3-oxo-3-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]propanenitrile is C=CCN1CCC[C@]12CCCN(C(=O)CC#N)C2.
What is the InChIKey of 3-oxo-3-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]propanenitrile?
The InChIKey is RGBJIASSFMSIQD-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-9-17-11-4-7-14(17)6-3-10-16(12-14)13(18)5-8-15/h2H,1,3-7,9-12H2/t14-/m0/s1.
What are the key properties of 3-oxo-3-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]propanenitrile?
3-oxo-3-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]propanenitrile has a molecular weight of 247.34 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-3-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]propanenitrile is sourced from PubChem (CID 97393465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).