3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]oxetane-3-carboxamide

C11H17N3O2 — CID 115184748

IUPAC3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]oxetane-3-carboxamide
SMILESCN1CCC(CNC(=O)C2(C#N)COC2)C1
InChIInChI=1S/C11H17N3O2/c1-14-3-2-9(5-14)4-13-10(15)11(6-12)7-16-8-11/h9H,2-5,7-8H2,1H3,(H,13,15)
InChIKeyCISUJNYDKPGLEZ-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.41
Rot. Bonds3

About 3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]oxetane-3-carboxamide

3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]oxetane-3-carboxamide (PubChem CID 115184748) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]oxetane-3-carboxamide.

Molecular Properties

Compound Name3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]oxetane-3-carboxamide
PubChem CID115184748
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]oxetane-3-carboxamide
SMILESCN1CCC(CNC(=O)C2(C#N)COC2)C1
InChIInChI=1S/C11H17N3O2/c1-14-3-2-9(5-14)4-13-10(15)11(6-12)7-16-8-11/h9H,2-5,7-8H2,1H3,(H,13,15)
InChIKeyCISUJNYDKPGLEZ-UHFFFAOYSA-N
XLogP-0.41
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 80592650
3-cyano-N-(cyclobutylmethyl)oxetane-3-carboxamide
CID 115184749
3-(1-methylpiperidine-4-carbonyl)oxetane-3-carbonitrile
CID 116922347
1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 65465734
1-amino-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide
CID 95228987
3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 115173838
1-(hydroxymethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 115184095
1-(aminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119854626
N,N'-bis[(1-methylpyrrolidin-3-yl)methyl]-3-oxopentanediamide
CID 20664945
1-(N'-hydroxycarbamimidoyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide
CID 76920812
1-(N'-hydroxycarbamimidoyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cycloheptane-1-carboxamide
CID 76920724
1-carbamothioyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 80589199

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]oxetane-3-carboxamide?
The IUPAC name of 3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]oxetane-3-carboxamide (CID 115184748) is 3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]oxetane-3-carboxamide.
What is the SMILES notation for 3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]oxetane-3-carboxamide?
The canonical SMILES for 3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]oxetane-3-carboxamide is CN1CCC(CNC(=O)C2(C#N)COC2)C1.
What is the InChIKey of 3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]oxetane-3-carboxamide?
The InChIKey is CISUJNYDKPGLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-14-3-2-9(5-14)4-13-10(15)11(6-12)7-16-8-11/h9H,2-5,7-8H2,1H3,(H,13,15).
What are the key properties of 3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]oxetane-3-carboxamide?
3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]oxetane-3-carboxamide has a molecular weight of 223.28 g/mol, XLogP of -0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]oxetane-3-carboxamide is sourced from PubChem (CID 115184748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).