3-cyano-N-(cyclobutylmethyl)oxetane-3-carboxamide

C10H14N2O2 — CID 115184749

IUPAC3-cyano-N-(cyclobutylmethyl)oxetane-3-carboxamide
SMILESN#CC1(C(=O)NCC2CCC2)COC1
InChIInChI=1S/C10H14N2O2/c11-5-10(6-14-7-10)9(13)12-4-8-2-1-3-8/h8H,1-4,6-7H2,(H,12,13)
InChIKeyYLQFIXBUWRMERW-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.44
Rot. Bonds3

About 3-cyano-N-(cyclobutylmethyl)oxetane-3-carboxamide

3-cyano-N-(cyclobutylmethyl)oxetane-3-carboxamide (PubChem CID 115184749) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-cyano-N-(cyclobutylmethyl)oxetane-3-carboxamide.

Molecular Properties

Compound Name3-cyano-N-(cyclobutylmethyl)oxetane-3-carboxamide
PubChem CID115184749
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-cyano-N-(cyclobutylmethyl)oxetane-3-carboxamide
SMILESN#CC1(C(=O)NCC2CCC2)COC1
InChIInChI=1S/C10H14N2O2/c11-5-10(6-14-7-10)9(13)12-4-8-2-1-3-8/h8H,1-4,6-7H2,(H,12,13)
InChIKeyYLQFIXBUWRMERW-UHFFFAOYSA-N
XLogP0.44
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]oxetane-3-carboxamide
CID 115184748
1-cyano-N-(cyclohexylmethyl)cyclohexane-1-carboxamide
CID 61459262
1-cyano-N-(thian-4-ylmethyl)cyclobutane-1-carboxamide
CID 115635699
3-cyano-N-(2-cyclohexyl-2-methylpropyl)oxetane-3-carboxamide
CID 115184886
1-cyano-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 80592650
1-cyano-N-[(3-methylcyclopentyl)methyl]cycloheptane-1-carboxamide
CID 107413298
1-cyano-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 80598955
1-cyano-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide
CID 80592027
(2S)-N-(cyclohexylmethyl)-2-methyloxirane-2-carboxamide
CID 166779998
3-[(cyclobutylmethylamino)methyl]oxetane-3-carboxylic acid
CID 115248458
4-cyano-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]oxane-4-carboxamide
CID 79362624
1-cyano-N-(cyclohexylmethyl)formamide
CID 115172259

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(cyclobutylmethyl)oxetane-3-carboxamide?
The IUPAC name of 3-cyano-N-(cyclobutylmethyl)oxetane-3-carboxamide (CID 115184749) is 3-cyano-N-(cyclobutylmethyl)oxetane-3-carboxamide.
What is the SMILES notation for 3-cyano-N-(cyclobutylmethyl)oxetane-3-carboxamide?
The canonical SMILES for 3-cyano-N-(cyclobutylmethyl)oxetane-3-carboxamide is N#CC1(C(=O)NCC2CCC2)COC1.
What is the InChIKey of 3-cyano-N-(cyclobutylmethyl)oxetane-3-carboxamide?
The InChIKey is YLQFIXBUWRMERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c11-5-10(6-14-7-10)9(13)12-4-8-2-1-3-8/h8H,1-4,6-7H2,(H,12,13).
What are the key properties of 3-cyano-N-(cyclobutylmethyl)oxetane-3-carboxamide?
3-cyano-N-(cyclobutylmethyl)oxetane-3-carboxamide has a molecular weight of 194.23 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(cyclobutylmethyl)oxetane-3-carboxamide is sourced from PubChem (CID 115184749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).