N-[cyano(phenyl)methyl]-N-methyloxolane-2-carboxamide

C14H16N2O2 — CID 82118036

IUPACN-[cyano(phenyl)methyl]-N-methyloxolane-2-carboxamide
SMILESCN(C(=O)C1CCCO1)C(C#N)c1ccccc1
InChIInChI=1S/C14H16N2O2/c1-16(14(17)13-8-5-9-18-13)12(10-15)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-9H2,1H3
InChIKeyKALFAVYYENMQTH-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.89
Rot. Bonds3

About N-[cyano(phenyl)methyl]-N-methyloxolane-2-carboxamide

N-[cyano(phenyl)methyl]-N-methyloxolane-2-carboxamide (PubChem CID 82118036) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[cyano(phenyl)methyl]-N-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[cyano(phenyl)methyl]-N-methyloxolane-2-carboxamide
PubChem CID82118036
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-[cyano(phenyl)methyl]-N-methyloxolane-2-carboxamide
SMILESCN(C(=O)C1CCCO1)C(C#N)c1ccccc1
InChIInChI=1S/C14H16N2O2/c1-16(14(17)13-8-5-9-18-13)12(10-15)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-9H2,1H3
InChIKeyKALFAVYYENMQTH-UHFFFAOYSA-N
XLogP1.89
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[cyano(phenyl)methyl]-N-methyloxolane-2-carboxamide?
The IUPAC name of N-[cyano(phenyl)methyl]-N-methyloxolane-2-carboxamide (CID 82118036) is N-[cyano(phenyl)methyl]-N-methyloxolane-2-carboxamide.
What is the SMILES notation for N-[cyano(phenyl)methyl]-N-methyloxolane-2-carboxamide?
The canonical SMILES for N-[cyano(phenyl)methyl]-N-methyloxolane-2-carboxamide is CN(C(=O)C1CCCO1)C(C#N)c1ccccc1.
What is the InChIKey of N-[cyano(phenyl)methyl]-N-methyloxolane-2-carboxamide?
The InChIKey is KALFAVYYENMQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-16(14(17)13-8-5-9-18-13)12(10-15)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-9H2,1H3.
What are the key properties of N-[cyano(phenyl)methyl]-N-methyloxolane-2-carboxamide?
N-[cyano(phenyl)methyl]-N-methyloxolane-2-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(phenyl)methyl]-N-methyloxolane-2-carboxamide is sourced from PubChem (CID 82118036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).