4-cyano-N-[(1-methylcyclopropyl)methyl]oxane-4-carboxamide

C12H18N2O2 — CID 103722107

IUPAC4-cyano-N-[(1-methylcyclopropyl)methyl]oxane-4-carboxamide
SMILESCC1(CNC(=O)C2(C#N)CCOCC2)CC1
InChIInChI=1S/C12H18N2O2/c1-11(2-3-11)9-14-10(15)12(8-13)4-6-16-7-5-12/h2-7,9H2,1H3,(H,14,15)
InChIKeyWTNCTDXIVCPEAP-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.22
Rot. Bonds3

About 4-cyano-N-[(1-methylcyclopropyl)methyl]oxane-4-carboxamide

4-cyano-N-[(1-methylcyclopropyl)methyl]oxane-4-carboxamide (PubChem CID 103722107) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-cyano-N-[(1-methylcyclopropyl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[(1-methylcyclopropyl)methyl]oxane-4-carboxamide
PubChem CID103722107
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-cyano-N-[(1-methylcyclopropyl)methyl]oxane-4-carboxamide
SMILESCC1(CNC(=O)C2(C#N)CCOCC2)CC1
InChIInChI=1S/C12H18N2O2/c1-11(2-3-11)9-14-10(15)12(8-13)4-6-16-7-5-12/h2-7,9H2,1H3,(H,14,15)
InChIKeyWTNCTDXIVCPEAP-UHFFFAOYSA-N
XLogP1.22
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-[(1-methylcyclobutyl)methyl]oxane-4-carboxamide
CID 103737393
4-cyano-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]oxane-4-carboxamide
CID 79362624
4-cyano-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide
CID 102906074
4-cyano-N-(3-ethylpentan-3-yl)oxane-4-carboxamide
CID 65043131
4-cyano-N-[3-(diethylamino)-3-oxopropyl]oxane-4-carboxamide
CID 115619318
1-amino-N-[(4-methyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 103798079
2-cyano-N-[(4-methyloxan-4-yl)methyl]propanamide
CID 103742628
4-cyano-N-[2-(2-hydroxyethyl)pentyl]oxane-4-carboxamide
CID 103725573
4-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]oxane-4-carboxamide
CID 113233756
4-[[(4-cyanooxane-4-carbonyl)amino]methyl]benzoic acid
CID 99038411
4-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide
CID 115619309
N-(4-amino-4-oxobutan-2-yl)-4-cyanooxane-4-carboxamide
CID 115664806

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(1-methylcyclopropyl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-cyano-N-[(1-methylcyclopropyl)methyl]oxane-4-carboxamide (CID 103722107) is 4-cyano-N-[(1-methylcyclopropyl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-cyano-N-[(1-methylcyclopropyl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-cyano-N-[(1-methylcyclopropyl)methyl]oxane-4-carboxamide is CC1(CNC(=O)C2(C#N)CCOCC2)CC1.
What is the InChIKey of 4-cyano-N-[(1-methylcyclopropyl)methyl]oxane-4-carboxamide?
The InChIKey is WTNCTDXIVCPEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-11(2-3-11)9-14-10(15)12(8-13)4-6-16-7-5-12/h2-7,9H2,1H3,(H,14,15).
What are the key properties of 4-cyano-N-[(1-methylcyclopropyl)methyl]oxane-4-carboxamide?
4-cyano-N-[(1-methylcyclopropyl)methyl]oxane-4-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(1-methylcyclopropyl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 103722107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).