1-cyano-N,3-dimethyl-N-[(2-methylfuran-3-yl)methyl]cyclobutane-1-carboxamide

C14H18N2O2 — CID 80501445

IUPAC1-cyano-N,3-dimethyl-N-[(2-methylfuran-3-yl)methyl]cyclobutane-1-carboxamide
SMILESCc1occc1CN(C)C(=O)C1(C#N)CC(C)C1
InChIInChI=1S/C14H18N2O2/c1-10-6-14(7-10,9-15)13(17)16(3)8-12-4-5-18-11(12)2/h4-5,10H,6-8H2,1-3H3
InChIKeyNBFLPQNPUGQVLP-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.49
Rot. Bonds3

About 1-cyano-N,3-dimethyl-N-[(2-methylfuran-3-yl)methyl]cyclobutane-1-carboxamide

1-cyano-N,3-dimethyl-N-[(2-methylfuran-3-yl)methyl]cyclobutane-1-carboxamide (PubChem CID 80501445) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-cyano-N,3-dimethyl-N-[(2-methylfuran-3-yl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N,3-dimethyl-N-[(2-methylfuran-3-yl)methyl]cyclobutane-1-carboxamide
PubChem CID80501445
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-cyano-N,3-dimethyl-N-[(2-methylfuran-3-yl)methyl]cyclobutane-1-carboxamide
SMILESCc1occc1CN(C)C(=O)C1(C#N)CC(C)C1
InChIInChI=1S/C14H18N2O2/c1-10-6-14(7-10,9-15)13(17)16(3)8-12-4-5-18-11(12)2/h4-5,10H,6-8H2,1-3H3
InChIKeyNBFLPQNPUGQVLP-UHFFFAOYSA-N
XLogP2.49
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N,3-dimethyl-N-[(2-methylfuran-3-yl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N,3-dimethyl-N-[(2-methylfuran-3-yl)methyl]cyclobutane-1-carboxamide (CID 80501445) is 1-cyano-N,3-dimethyl-N-[(2-methylfuran-3-yl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N,3-dimethyl-N-[(2-methylfuran-3-yl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N,3-dimethyl-N-[(2-methylfuran-3-yl)methyl]cyclobutane-1-carboxamide is Cc1occc1CN(C)C(=O)C1(C#N)CC(C)C1.
What is the InChIKey of 1-cyano-N,3-dimethyl-N-[(2-methylfuran-3-yl)methyl]cyclobutane-1-carboxamide?
The InChIKey is NBFLPQNPUGQVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-6-14(7-10,9-15)13(17)16(3)8-12-4-5-18-11(12)2/h4-5,10H,6-8H2,1-3H3.
What are the key properties of 1-cyano-N,3-dimethyl-N-[(2-methylfuran-3-yl)methyl]cyclobutane-1-carboxamide?
1-cyano-N,3-dimethyl-N-[(2-methylfuran-3-yl)methyl]cyclobutane-1-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N,3-dimethyl-N-[(2-methylfuran-3-yl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 80501445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).