4-methoxycyclohex-3-ene-1-carbonitrile

C8H11NO — CID 53231492

IUPAC4-methoxycyclohex-3-ene-1-carbonitrile
SMILESCOC1=CCC(C#N)CC1
InChIInChI=1S/C8H11NO/c1-10-8-4-2-7(6-9)3-5-8/h4,7H,2-3,5H2,1H3
InChIKeyMQAQWFAVOSIPAO-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.84
Rot. Bonds1

About 4-methoxycyclohex-3-ene-1-carbonitrile

4-methoxycyclohex-3-ene-1-carbonitrile (PubChem CID 53231492) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 4-methoxycyclohex-3-ene-1-carbonitrile.

Molecular Properties

Compound Name4-methoxycyclohex-3-ene-1-carbonitrile
PubChem CID53231492
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name4-methoxycyclohex-3-ene-1-carbonitrile
SMILESCOC1=CCC(C#N)CC1
InChIInChI=1S/C8H11NO/c1-10-8-4-2-7(6-9)3-5-8/h4,7H,2-3,5H2,1H3
InChIKeyMQAQWFAVOSIPAO-UHFFFAOYSA-N
XLogP1.84
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxycyclohex-3-ene-1-carbonitrile?
The IUPAC name of 4-methoxycyclohex-3-ene-1-carbonitrile (CID 53231492) is 4-methoxycyclohex-3-ene-1-carbonitrile.
What is the SMILES notation for 4-methoxycyclohex-3-ene-1-carbonitrile?
The canonical SMILES for 4-methoxycyclohex-3-ene-1-carbonitrile is COC1=CCC(C#N)CC1.
What is the InChIKey of 4-methoxycyclohex-3-ene-1-carbonitrile?
The InChIKey is MQAQWFAVOSIPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-10-8-4-2-7(6-9)3-5-8/h4,7H,2-3,5H2,1H3.
What are the key properties of 4-methoxycyclohex-3-ene-1-carbonitrile?
4-methoxycyclohex-3-ene-1-carbonitrile has a molecular weight of 137.18 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxycyclohex-3-ene-1-carbonitrile is sourced from PubChem (CID 53231492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).