(3R)-3-cyclohexyl-3-hydroxypropanenitrile

C9H15NO — CID 11182714

IUPAC(3R)-3-cyclohexyl-3-hydroxypropanenitrile
SMILESN#CC[C@@H](O)C1CCCCC1
InChIInChI=1S/C9H15NO/c10-7-6-9(11)8-4-2-1-3-5-8/h8-9,11H,1-6H2/t9-/m1/s1
InChIKeyJTCALPNCEVCXLU-SECBINFHSA-N
MW153.22 g/mol
LogP1.84
Rot. Bonds2

About (3R)-3-cyclohexyl-3-hydroxypropanenitrile

(3R)-3-cyclohexyl-3-hydroxypropanenitrile (PubChem CID 11182714) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3R)-3-cyclohexyl-3-hydroxypropanenitrile.

Molecular Properties

Compound Name(3R)-3-cyclohexyl-3-hydroxypropanenitrile
PubChem CID11182714
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3R)-3-cyclohexyl-3-hydroxypropanenitrile
SMILESN#CC[C@@H](O)C1CCCCC1
InChIInChI=1S/C9H15NO/c10-7-6-9(11)8-4-2-1-3-5-8/h8-9,11H,1-6H2/t9-/m1/s1
InChIKeyJTCALPNCEVCXLU-SECBINFHSA-N
XLogP1.84
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

rac-(1R,2S)-2-hydroxycyclohexane-1-carbonitrile
CID 2724649
(R)-2-Hydroxy-2-cyclohexylacetonitrile
CID 10887989
Cyclohexaneacetonitrile, 2-hydroxy-, trans-
CID 181068
(S)-2-Hydroxy-2-cyclohexylacetonitrile
CID 10080477
2-Hydroxycyclohexanecarbonitrile
CID 543100
rac-(1R,2S)-2-hydroxycyclooctane-1-carbonitrile
CID 101105228
4-Hydroxycyclohexanecarbonitrile
CID 12617272
4-(Hydroxymethyl)cyclohexane-1-carbonitrile
CID 13548136
3-Hydroxycyclohexane-1-carbonitrile
CID 22743809
3-Cyclopentyl-3-hydroxypropanenitrile
CID 70370525
(1R,2S)-2-Hydroxycyclohexanecarbonitrile
CID 10975486
Ctk2H4984
CID 11263500

Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyclohexyl-3-hydroxypropanenitrile?
The IUPAC name of (3R)-3-cyclohexyl-3-hydroxypropanenitrile (CID 11182714) is (3R)-3-cyclohexyl-3-hydroxypropanenitrile.
What is the SMILES notation for (3R)-3-cyclohexyl-3-hydroxypropanenitrile?
The canonical SMILES for (3R)-3-cyclohexyl-3-hydroxypropanenitrile is N#CC[C@@H](O)C1CCCCC1.
What is the InChIKey of (3R)-3-cyclohexyl-3-hydroxypropanenitrile?
The InChIKey is JTCALPNCEVCXLU-SECBINFHSA-N. The full InChI is InChI=1S/C9H15NO/c10-7-6-9(11)8-4-2-1-3-5-8/h8-9,11H,1-6H2/t9-/m1/s1.
What are the key properties of (3R)-3-cyclohexyl-3-hydroxypropanenitrile?
(3R)-3-cyclohexyl-3-hydroxypropanenitrile has a molecular weight of 153.22 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyclohexyl-3-hydroxypropanenitrile is sourced from PubChem (CID 11182714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).