cis-(1R,3S)-3-hydroxycyclohexane-1-carbonitrile

C7H11NO — CID 69057748

IUPACcis-(1R,3S)-3-hydroxycyclohexane-1-carbonitrile
SMILESN#C[C@@H]1CCC[C@H](O)C1
InChIInChI=1S/C7H11NO/c8-5-6-2-1-3-7(9)4-6/h6-7,9H,1-4H2/t6-,7+/m1/s1
InChIKeyFNARHEUUIFYEIC-RQJHMYQMSA-N
MW125.17 g/mol
LogP1.06
Rot. Bonds

About cis-(1R,3S)-3-hydroxycyclohexane-1-carbonitrile

cis-(1R,3S)-3-hydroxycyclohexane-1-carbonitrile (PubChem CID 69057748) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is cis-(1R,3S)-3-hydroxycyclohexane-1-carbonitrile.

Molecular Properties

Compound Namecis-(1R,3S)-3-hydroxycyclohexane-1-carbonitrile
PubChem CID69057748
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Namecis-(1R,3S)-3-hydroxycyclohexane-1-carbonitrile
SMILESN#C[C@@H]1CCC[C@H](O)C1
InChIInChI=1S/C7H11NO/c8-5-6-2-1-3-7(9)4-6/h6-7,9H,1-4H2/t6-,7+/m1/s1
InChIKeyFNARHEUUIFYEIC-RQJHMYQMSA-N
XLogP1.06
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-hydroxycyclohexane-1-carbonitrile?
The IUPAC name of cis-(1R,3S)-3-hydroxycyclohexane-1-carbonitrile (CID 69057748) is cis-(1R,3S)-3-hydroxycyclohexane-1-carbonitrile.
What is the SMILES notation for cis-(1R,3S)-3-hydroxycyclohexane-1-carbonitrile?
The canonical SMILES for cis-(1R,3S)-3-hydroxycyclohexane-1-carbonitrile is N#C[C@@H]1CCC[C@H](O)C1.
What is the InChIKey of cis-(1R,3S)-3-hydroxycyclohexane-1-carbonitrile?
The InChIKey is FNARHEUUIFYEIC-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H11NO/c8-5-6-2-1-3-7(9)4-6/h6-7,9H,1-4H2/t6-,7+/m1/s1.
What are the key properties of cis-(1R,3S)-3-hydroxycyclohexane-1-carbonitrile?
cis-(1R,3S)-3-hydroxycyclohexane-1-carbonitrile has a molecular weight of 125.17 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-hydroxycyclohexane-1-carbonitrile is sourced from PubChem (CID 69057748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).