2-cyano-N-(3-methoxycyclobutyl)-2-methylpropanamide

C10H16N2O2 — CID 104578369

IUPAC2-cyano-N-(3-methoxycyclobutyl)-2-methylpropanamide
SMILESCOC1CC(NC(=O)C(C)(C)C#N)C1
InChIInChI=1S/C10H16N2O2/c1-10(2,6-11)9(13)12-7-4-8(5-7)14-3/h7-8H,4-5H2,1-3H3,(H,12,13)
InChIKeyQQWLXVNICVZMKC-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.83
Rot. Bonds3

About 2-cyano-N-(3-methoxycyclobutyl)-2-methylpropanamide

2-cyano-N-(3-methoxycyclobutyl)-2-methylpropanamide (PubChem CID 104578369) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-cyano-N-(3-methoxycyclobutyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-cyano-N-(3-methoxycyclobutyl)-2-methylpropanamide
PubChem CID104578369
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-cyano-N-(3-methoxycyclobutyl)-2-methylpropanamide
SMILESCOC1CC(NC(=O)C(C)(C)C#N)C1
InChIInChI=1S/C10H16N2O2/c1-10(2,6-11)9(13)12-7-4-8(5-7)14-3/h7-8H,4-5H2,1-3H3,(H,12,13)
InChIKeyQQWLXVNICVZMKC-UHFFFAOYSA-N
XLogP0.83
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-methoxycyclobutyl)-2-methylpropanamide?
The IUPAC name of 2-cyano-N-(3-methoxycyclobutyl)-2-methylpropanamide (CID 104578369) is 2-cyano-N-(3-methoxycyclobutyl)-2-methylpropanamide.
What is the SMILES notation for 2-cyano-N-(3-methoxycyclobutyl)-2-methylpropanamide?
The canonical SMILES for 2-cyano-N-(3-methoxycyclobutyl)-2-methylpropanamide is COC1CC(NC(=O)C(C)(C)C#N)C1.
What is the InChIKey of 2-cyano-N-(3-methoxycyclobutyl)-2-methylpropanamide?
The InChIKey is QQWLXVNICVZMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-10(2,6-11)9(13)12-7-4-8(5-7)14-3/h7-8H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 2-cyano-N-(3-methoxycyclobutyl)-2-methylpropanamide?
2-cyano-N-(3-methoxycyclobutyl)-2-methylpropanamide has a molecular weight of 196.25 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-methoxycyclobutyl)-2-methylpropanamide is sourced from PubChem (CID 104578369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).