4-(1-methylimidazol-2-yl)oxane-4-carbonitrile

C10H13N3O — CID 110431260

IUPAC4-(1-methylimidazol-2-yl)oxane-4-carbonitrile
SMILESCn1ccnc1C1(C#N)CCOCC1
InChIInChI=1S/C10H13N3O/c1-13-5-4-12-9(13)10(8-11)2-6-14-7-3-10/h4-5H,2-3,6-7H2,1H3
InChIKeyONHQEOVWHNFPBX-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.99
Rot. Bonds1

About 4-(1-methylimidazol-2-yl)oxane-4-carbonitrile

4-(1-methylimidazol-2-yl)oxane-4-carbonitrile (PubChem CID 110431260) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)oxane-4-carbonitrile.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)oxane-4-carbonitrile
PubChem CID110431260
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name4-(1-methylimidazol-2-yl)oxane-4-carbonitrile
SMILESCn1ccnc1C1(C#N)CCOCC1
InChIInChI=1S/C10H13N3O/c1-13-5-4-12-9(13)10(8-11)2-6-14-7-3-10/h4-5H,2-3,6-7H2,1H3
InChIKeyONHQEOVWHNFPBX-UHFFFAOYSA-N
XLogP0.99
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-hydroxyoxan-4-yl)methylamino]-1-methylpyrazin-2-one
CID 79026561
[1-(1-methylimidazol-2-yl)cyclopropyl]methanamine
CID 82026897
4-(6-amino-3-pyridinyl)oxane-4-carbonitrile
CID 135319720
4-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-ol
CID 114529027
4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]oxane-4-carboxamide
CID 113280694
4-(1-propylimidazol-2-yl)oxan-4-ol
CID 63975845
4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]oxan-4-amine
CID 55149213
1-cyano-N-(1-methylimidazol-2-yl)cyclopropane-1-carboxamide
CID 127004619
3-methyl-3-(1-methylimidazol-2-yl)cyclopentan-1-amine
CID 116538901
4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]oxane-4-carboxamide
CID 63013244
3-pyridin-4-yloxolane-3-carbonitrile
CID 130160291
4-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]oxane-4-carbonitrile
CID 140690055

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-2-yl)oxane-4-carbonitrile?
The IUPAC name of 4-(1-methylimidazol-2-yl)oxane-4-carbonitrile (CID 110431260) is 4-(1-methylimidazol-2-yl)oxane-4-carbonitrile.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)oxane-4-carbonitrile?
The canonical SMILES for 4-(1-methylimidazol-2-yl)oxane-4-carbonitrile is Cn1ccnc1C1(C#N)CCOCC1.
What is the InChIKey of 4-(1-methylimidazol-2-yl)oxane-4-carbonitrile?
The InChIKey is ONHQEOVWHNFPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-13-5-4-12-9(13)10(8-11)2-6-14-7-3-10/h4-5H,2-3,6-7H2,1H3.
What are the key properties of 4-(1-methylimidazol-2-yl)oxane-4-carbonitrile?
4-(1-methylimidazol-2-yl)oxane-4-carbonitrile has a molecular weight of 191.23 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-2-yl)oxane-4-carbonitrile is sourced from PubChem (CID 110431260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).