(1R,4Z,8S)-8-hydroxycyclooct-4-ene-1-carbonitrile

C9H13NO — CID 134840132

IUPAC(1R,4Z,8S)-8-hydroxycyclooct-4-ene-1-carbonitrile
SMILESN#C[C@H]1CC/C=C\CC[C@@H]1O
InChIInChI=1S/C9H13NO/c10-7-8-5-3-1-2-4-6-9(8)11/h1-2,8-9,11H,3-6H2/b2-1-/t8-,9+/m1/s1
InChIKeyQXBXWLCMIJWBBQ-ABKJGRNXSA-N
MW151.21 g/mol
LogP1.62
Rot. Bonds

About (1R,4Z,8S)-8-hydroxycyclooct-4-ene-1-carbonitrile

(1R,4Z,8S)-8-hydroxycyclooct-4-ene-1-carbonitrile (PubChem CID 134840132) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (1R,4Z,8S)-8-hydroxycyclooct-4-ene-1-carbonitrile.

Molecular Properties

Compound Name(1R,4Z,8S)-8-hydroxycyclooct-4-ene-1-carbonitrile
PubChem CID134840132
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(1R,4Z,8S)-8-hydroxycyclooct-4-ene-1-carbonitrile
SMILESN#C[C@H]1CC/C=C\CC[C@@H]1O
InChIInChI=1S/C9H13NO/c10-7-8-5-3-1-2-4-6-9(8)11/h1-2,8-9,11H,3-6H2/b2-1-/t8-,9+/m1/s1
InChIKeyQXBXWLCMIJWBBQ-ABKJGRNXSA-N
XLogP1.62
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,4Z,8S)-8-hydroxycyclooct-4-ene-1-carbonitrile?
The IUPAC name of (1R,4Z,8S)-8-hydroxycyclooct-4-ene-1-carbonitrile (CID 134840132) is (1R,4Z,8S)-8-hydroxycyclooct-4-ene-1-carbonitrile.
What is the SMILES notation for (1R,4Z,8S)-8-hydroxycyclooct-4-ene-1-carbonitrile?
The canonical SMILES for (1R,4Z,8S)-8-hydroxycyclooct-4-ene-1-carbonitrile is N#C[C@H]1CC/C=C\CC[C@@H]1O.
What is the InChIKey of (1R,4Z,8S)-8-hydroxycyclooct-4-ene-1-carbonitrile?
The InChIKey is QXBXWLCMIJWBBQ-ABKJGRNXSA-N. The full InChI is InChI=1S/C9H13NO/c10-7-8-5-3-1-2-4-6-9(8)11/h1-2,8-9,11H,3-6H2/b2-1-/t8-,9+/m1/s1.
What are the key properties of (1R,4Z,8S)-8-hydroxycyclooct-4-ene-1-carbonitrile?
(1R,4Z,8S)-8-hydroxycyclooct-4-ene-1-carbonitrile has a molecular weight of 151.21 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4Z,8S)-8-hydroxycyclooct-4-ene-1-carbonitrile is sourced from PubChem (CID 134840132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).