2-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)cyclopropane-1-carbonitrile

C14H21N3O — CID 171423088

IUPAC2-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)cyclopropane-1-carbonitrile
SMILESCC(C)N1CCC2(CCN2C(=O)C2CC2C#N)C1
InChIInChI=1S/C14H21N3O/c1-10(2)16-5-3-14(9-16)4-6-17(14)13(18)12-7-11(12)8-15/h10-12H,3-7,9H2,1-2H3
InChIKeyNCTADBOUQJKAKP-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.23
Rot. Bonds2

About 2-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)cyclopropane-1-carbonitrile

2-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)cyclopropane-1-carbonitrile (PubChem CID 171423088) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)cyclopropane-1-carbonitrile
PubChem CID171423088
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)cyclopropane-1-carbonitrile
SMILESCC(C)N1CCC2(CCN2C(=O)C2CC2C#N)C1
InChIInChI=1S/C14H21N3O/c1-10(2)16-5-3-14(9-16)4-6-17(14)13(18)12-7-11(12)8-15/h10-12H,3-7,9H2,1-2H3
InChIKeyNCTADBOUQJKAKP-UHFFFAOYSA-N
XLogP1.23
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)pyrazole-4-carbonitrile
CID 170571684
2-(3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile
CID 123477131
8-propan-2-yl-1,8-diazaspiro[3.5]nonane-1-carboxamide
CID 170571730
(3-methyl-1,2,4-triazol-1-yl)-[(4R)-7-propan-2-yl-1,7-diazaspiro[3.4]octan-1-yl]methanone
CID 171423080
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane
CID 163848476
3-fluoro-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 115014441
(8-propan-2-yl-1,8-diazaspiro[3.5]nonan-1-yl)-(1,2,4-triazol-1-yl)methanone
CID 170405918
7-propan-2-yl-1,7-diazaspiro[3.5]nonane-1-carbonitrile
CID 164922080
(3R,4R)-3-hydroxy-1-propan-2-ylpiperidine-4-carbonitrile
CID 177091434
(2-propan-2-yl-2,6-diazaspiro[4.5]decan-6-yl)-(1,2,4-triazol-1-yl)methanone
CID 170405916
propan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane
CID 170791695
trans-(1R,2S)-2-cyanocyclopropane-1-carboxamide
CID 169449238

Frequently Asked Questions

What is the IUPAC name of 2-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)cyclopropane-1-carbonitrile?
The IUPAC name of 2-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)cyclopropane-1-carbonitrile (CID 171423088) is 2-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 2-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 2-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)cyclopropane-1-carbonitrile is CC(C)N1CCC2(CCN2C(=O)C2CC2C#N)C1.
What is the InChIKey of 2-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)cyclopropane-1-carbonitrile?
The InChIKey is NCTADBOUQJKAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(2)16-5-3-14(9-16)4-6-17(14)13(18)12-7-11(12)8-15/h10-12H,3-7,9H2,1-2H3.
What are the key properties of 2-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)cyclopropane-1-carbonitrile?
2-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)cyclopropane-1-carbonitrile has a molecular weight of 247.34 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 171423088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).