1-cyano-3-methyl-N-[2-(oxolan-2-yl)ethyl]cyclobutane-1-carboxamide

C13H20N2O2 — CID 80501458

IUPAC1-cyano-3-methyl-N-[2-(oxolan-2-yl)ethyl]cyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NCCC2CCCO2)C1
InChIInChI=1S/C13H20N2O2/c1-10-7-13(8-10,9-14)12(16)15-5-4-11-3-2-6-17-11/h10-11H,2-8H2,1H3,(H,15,16)
InChIKeyNRIIMWQBBOEKCS-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.61
Rot. Bonds4

About 1-cyano-3-methyl-N-[2-(oxolan-2-yl)ethyl]cyclobutane-1-carboxamide

1-cyano-3-methyl-N-[2-(oxolan-2-yl)ethyl]cyclobutane-1-carboxamide (PubChem CID 80501458) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-cyano-3-methyl-N-[2-(oxolan-2-yl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-3-methyl-N-[2-(oxolan-2-yl)ethyl]cyclobutane-1-carboxamide
PubChem CID80501458
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-cyano-3-methyl-N-[2-(oxolan-2-yl)ethyl]cyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NCCC2CCCO2)C1
InChIInChI=1S/C13H20N2O2/c1-10-7-13(8-10,9-14)12(16)15-5-4-11-3-2-6-17-11/h10-11H,2-8H2,1H3,(H,15,16)
InChIKeyNRIIMWQBBOEKCS-UHFFFAOYSA-N
XLogP1.61
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-3-methyl-N-[2-(oxan-2-yl)ethyl]cyclobutane-1-carboxamide
CID 114135899
1-cyano-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 80598955
1-(aminomethyl)-N-[2-(oxolan-2-yl)ethyl]cyclopropane-1-carboxamide
CID 80588355
methyl N-[2-(oxolan-2-yl)ethyl]carbamate
CID 110731266
1-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide
CID 80502256
2,2-dimethyl-3-[2-(oxolan-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 64835996
1-cyano-3-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclobutane-1-carboxamide
CID 80502375
2-ethyl-N-[2-(oxolan-2-yl)ethyl]butanamide
CID 110731236
N-methyl-2-[2-(oxolan-2-yl)ethylamino]acetamide
CID 61039623
1-(2-methylprop-2-enyl)-3-[2-(oxolan-2-yl)ethyl]urea
CID 91661489
1-cyano-N-[3-(cyclopropylmethoxy)propyl]-3-methylcyclobutane-1-carboxamide
CID 103752016
N-(1-cyano-4-methylcyclohexyl)-3-(oxolan-2-yl)propanamide
CID 65156261

Frequently Asked Questions

What is the IUPAC name of 1-cyano-3-methyl-N-[2-(oxolan-2-yl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-3-methyl-N-[2-(oxolan-2-yl)ethyl]cyclobutane-1-carboxamide (CID 80501458) is 1-cyano-3-methyl-N-[2-(oxolan-2-yl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-3-methyl-N-[2-(oxolan-2-yl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-3-methyl-N-[2-(oxolan-2-yl)ethyl]cyclobutane-1-carboxamide is CC1CC(C#N)(C(=O)NCCC2CCCO2)C1.
What is the InChIKey of 1-cyano-3-methyl-N-[2-(oxolan-2-yl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is NRIIMWQBBOEKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-7-13(8-10,9-14)12(16)15-5-4-11-3-2-6-17-11/h10-11H,2-8H2,1H3,(H,15,16).
What are the key properties of 1-cyano-3-methyl-N-[2-(oxolan-2-yl)ethyl]cyclobutane-1-carboxamide?
1-cyano-3-methyl-N-[2-(oxolan-2-yl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-3-methyl-N-[2-(oxolan-2-yl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 80501458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).