5-[(2R)-3-(cyclopropylmethyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]furan-2-carbonitrile

C16H19N3O2 — CID 97221701

IUPAC5-[(2R)-3-(cyclopropylmethyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]furan-2-carbonitrile
SMILESN#Cc1ccc([C@@H]2NC3(CCCC3)C(=O)N2CC2CC2)o1
InChIInChI=1S/C16H19N3O2/c17-9-12-5-6-13(21-12)14-18-16(7-1-2-8-16)15(20)19(14)10-11-3-4-11/h5-6,11,14,18H,1-4,7-8,10H2/t14-/m1/s1
InChIKeyFCAPFHNBNLCIGJ-CQSZACIVSA-N
MW285.35 g/mol
LogP2.30
Rot. Bonds3

About 5-[(2R)-3-(cyclopropylmethyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]furan-2-carbonitrile

5-[(2R)-3-(cyclopropylmethyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]furan-2-carbonitrile (PubChem CID 97221701) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-[(2R)-3-(cyclopropylmethyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[(2R)-3-(cyclopropylmethyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]furan-2-carbonitrile
PubChem CID97221701
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name5-[(2R)-3-(cyclopropylmethyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]furan-2-carbonitrile
SMILESN#Cc1ccc([C@@H]2NC3(CCCC3)C(=O)N2CC2CC2)o1
InChIInChI=1S/C16H19N3O2/c17-9-12-5-6-13(21-12)14-18-16(7-1-2-8-16)15(20)19(14)10-11-3-4-11/h5-6,11,14,18H,1-4,7-8,10H2/t14-/m1/s1
InChIKeyFCAPFHNBNLCIGJ-CQSZACIVSA-N
XLogP2.30
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-(cyclopropylmethyl)-2-[5-(methoxymethyl)furan-2-yl]-1,3-diazaspiro[4.4]nonan-4-one
CID 97228894
2-(4-chlorophenyl)-3-(cyclopropylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 79827705
3-(cyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 75376872
3-(cyclopropylmethyl)-2-(5-methyl-1H-imidazol-4-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 71977107
6-(cyclopropylmethyl)-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83247504
4-(cyclopropylmethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64887432
6-[(1-methylpyrrolidin-3-yl)methyl]-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83245738
9-(cyclohexylmethyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886872
6-(cyclopentylmethyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83244163
2-ethyl-3-(oxolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83255122
5-[(2S)-pyrrolidin-2-yl]furan-2-carbonitrile
CID 131142987
3-[(1-methylpiperidin-4-yl)methyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83253627

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-3-(cyclopropylmethyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]furan-2-carbonitrile?
The IUPAC name of 5-[(2R)-3-(cyclopropylmethyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]furan-2-carbonitrile (CID 97221701) is 5-[(2R)-3-(cyclopropylmethyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]furan-2-carbonitrile.
What is the SMILES notation for 5-[(2R)-3-(cyclopropylmethyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]furan-2-carbonitrile?
The canonical SMILES for 5-[(2R)-3-(cyclopropylmethyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]furan-2-carbonitrile is N#Cc1ccc([C@@H]2NC3(CCCC3)C(=O)N2CC2CC2)o1.
What is the InChIKey of 5-[(2R)-3-(cyclopropylmethyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]furan-2-carbonitrile?
The InChIKey is FCAPFHNBNLCIGJ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N3O2/c17-9-12-5-6-13(21-12)14-18-16(7-1-2-8-16)15(20)19(14)10-11-3-4-11/h5-6,11,14,18H,1-4,7-8,10H2/t14-/m1/s1.
What are the key properties of 5-[(2R)-3-(cyclopropylmethyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]furan-2-carbonitrile?
5-[(2R)-3-(cyclopropylmethyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]furan-2-carbonitrile has a molecular weight of 285.35 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-3-(cyclopropylmethyl)-4-oxo-1,3-diazaspiro[4.4]nonan-2-yl]furan-2-carbonitrile is sourced from PubChem (CID 97221701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).