1-(methoxymethyl)pyrrole-2-carbonitrile

C7H8N2O — CID 112692720

IUPAC1-(methoxymethyl)pyrrole-2-carbonitrile
SMILESCOCn1cccc1C#N
InChIInChI=1S/C7H8N2O/c1-10-6-9-4-2-3-7(9)5-8/h2-4H,6H2,1H3
InChIKeySNINAOWZTJNYAH-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.96
Rot. Bonds2

About 1-(methoxymethyl)pyrrole-2-carbonitrile

1-(methoxymethyl)pyrrole-2-carbonitrile (PubChem CID 112692720) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 1-(methoxymethyl)pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-(methoxymethyl)pyrrole-2-carbonitrile
PubChem CID112692720
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name1-(methoxymethyl)pyrrole-2-carbonitrile
SMILESCOCn1cccc1C#N
InChIInChI=1S/C7H8N2O/c1-10-6-9-4-2-3-7(9)5-8/h2-4H,6H2,1H3
InChIKeySNINAOWZTJNYAH-UHFFFAOYSA-N
XLogP0.96
TPSA37.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromoethyl)pyrrole-2-carbonitrile
CID 114650712
1-[(2R)-2-hydroxypropyl]pyrrole-2-carbonitrile
CID 106932986
1-[2-(2-methoxyphenoxy)ethyl]pyrrole-2-carbonitrile
CID 114652751
1-(3-chloropropyl)pyrrole-2-carbonitrile
CID 114650702
1-(2,2-difluoroethyl)pyrrole-2-carbonitrile
CID 84650304
1-[(6-methoxy-2-pyridinyl)methyl]pyrrole-2-carbonitrile
CID 114652954
[1-(methoxymethyl)pyrrol-2-yl]methanol
CID 66400554
1-(4-chlorobutyl)pyrrole-2-carbonitrile
CID 114650701
1-(2-hydroxy-2-methylbutyl)pyrrole-2-carbonitrile
CID 114651685
methyl 2-acetamido-3-(2-cyanopyrrol-1-yl)propanoate
CID 114650527
2-(2-cyanopyrrol-1-yl)-3-methoxypropanehydrazide
CID 103229889
1-[2-(2-methylimidazol-1-yl)ethyl]pyrrole-2-carbonitrile
CID 114652667

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)pyrrole-2-carbonitrile?
The IUPAC name of 1-(methoxymethyl)pyrrole-2-carbonitrile (CID 112692720) is 1-(methoxymethyl)pyrrole-2-carbonitrile.
What is the SMILES notation for 1-(methoxymethyl)pyrrole-2-carbonitrile?
The canonical SMILES for 1-(methoxymethyl)pyrrole-2-carbonitrile is COCn1cccc1C#N.
What is the InChIKey of 1-(methoxymethyl)pyrrole-2-carbonitrile?
The InChIKey is SNINAOWZTJNYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-10-6-9-4-2-3-7(9)5-8/h2-4H,6H2,1H3.
What are the key properties of 1-(methoxymethyl)pyrrole-2-carbonitrile?
1-(methoxymethyl)pyrrole-2-carbonitrile has a molecular weight of 136.15 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)pyrrole-2-carbonitrile is sourced from PubChem (CID 112692720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).