(2-cyanospiro[3.5]nonan-7-yl)-methylcarbamic acid

C12H18N2O2 — CID 146598348

IUPAC(2-cyanospiro[3.5]nonan-7-yl)-methylcarbamic acid
SMILESCN(C(=O)O)C1CCC2(CC1)CC(C#N)C2
InChIInChI=1S/C12H18N2O2/c1-14(11(15)16)10-2-4-12(5-3-10)6-9(7-12)8-13/h9-10H,2-7H2,1H3,(H,15,16)
InChIKeySLRJNHWDOKAHKC-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.46
Rot. Bonds1

About (2-cyanospiro[3.5]nonan-7-yl)-methylcarbamic acid

(2-cyanospiro[3.5]nonan-7-yl)-methylcarbamic acid (PubChem CID 146598348) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (2-cyanospiro[3.5]nonan-7-yl)-methylcarbamic acid.

Molecular Properties

Compound Name(2-cyanospiro[3.5]nonan-7-yl)-methylcarbamic acid
PubChem CID146598348
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(2-cyanospiro[3.5]nonan-7-yl)-methylcarbamic acid
SMILESCN(C(=O)O)C1CCC2(CC1)CC(C#N)C2
InChIInChI=1S/C12H18N2O2/c1-14(11(15)16)10-2-4-12(5-3-10)6-9(7-12)8-13/h9-10H,2-7H2,1H3,(H,15,16)
InChIKeySLRJNHWDOKAHKC-UHFFFAOYSA-N
XLogP2.46
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[5-(Dimethylamino)pentyl]cyclohexyl]-methylcarbamic acid
CID 22567650
[4-(Cyanomethyl)cyclohexyl]-methylcarbamic acid
CID 22567814
2-Tert-butyl-4-cyanopiperidine-1-carboxylic acid
CID 66791155
Tert-butyl-[(4-cyano-4-methylcyclohexyl)methyl]carbamic acid
CID 67126538
Tert-butyl-[[4-(cyanomethyl)cyclohexyl]methyl]carbamic acid
CID 67126660
tert-butyl-[(1S,2R)-2-(cyanomethyl)cyclohexyl]carbamic acid
CID 67215293
(4-Cyanocyclohexyl)-methylcarbamic acid
CID 67500695
(4-Cyano-4-methylcyclohexyl)-methylcarbamic acid
CID 67503005
4-Cyano-2-(2-methylpropyl)piperidine-1-carboxylic acid
CID 68507062
Tert-butyl-[4-(2-cyanoethyl)cyclohexyl]carbamic acid
CID 118663323
Tert-butyl-[4-(cyanomethyl)cyclohexyl]carbamic acid
CID 118663338
(2R,5S)-2-(2-cyanopropan-2-yl)-5-cyclohexylpyrrolidine-1-carboxylic acid
CID 138487435

Frequently Asked Questions

What is the IUPAC name of (2-cyanospiro[3.5]nonan-7-yl)-methylcarbamic acid?
The IUPAC name of (2-cyanospiro[3.5]nonan-7-yl)-methylcarbamic acid (CID 146598348) is (2-cyanospiro[3.5]nonan-7-yl)-methylcarbamic acid.
What is the SMILES notation for (2-cyanospiro[3.5]nonan-7-yl)-methylcarbamic acid?
The canonical SMILES for (2-cyanospiro[3.5]nonan-7-yl)-methylcarbamic acid is CN(C(=O)O)C1CCC2(CC1)CC(C#N)C2.
What is the InChIKey of (2-cyanospiro[3.5]nonan-7-yl)-methylcarbamic acid?
The InChIKey is SLRJNHWDOKAHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14(11(15)16)10-2-4-12(5-3-10)6-9(7-12)8-13/h9-10H,2-7H2,1H3,(H,15,16).
What are the key properties of (2-cyanospiro[3.5]nonan-7-yl)-methylcarbamic acid?
(2-cyanospiro[3.5]nonan-7-yl)-methylcarbamic acid has a molecular weight of 222.29 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyanospiro[3.5]nonan-7-yl)-methylcarbamic acid is sourced from PubChem (CID 146598348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).