1-(3-methoxypyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile

C11H16N2O2 — CID 103533305

IUPAC1-(3-methoxypyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile
SMILESCOC1CCN(C(=O)C2(C#N)CCC2)C1
InChIInChI=1S/C11H16N2O2/c1-15-9-3-6-13(7-9)10(14)11(8-12)4-2-5-11/h9H,2-7H2,1H3
InChIKeyLDXBXQIYDSCGJM-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.93
Rot. Bonds2

About 1-(3-methoxypyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile

1-(3-methoxypyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile (PubChem CID 103533305) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(3-methoxypyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-methoxypyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile
PubChem CID103533305
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(3-methoxypyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile
SMILESCOC1CCN(C(=O)C2(C#N)CCC2)C1
InChIInChI=1S/C11H16N2O2/c1-15-9-3-6-13(7-9)10(14)11(8-12)4-2-5-11/h9H,2-7H2,1H3
InChIKeyLDXBXQIYDSCGJM-UHFFFAOYSA-N
XLogP0.93
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(1-cyanocyclopentanecarbonyl)piperidine-4-carboxylate
CID 60718203
methyl 1-(1-cyanocycloheptanecarbonyl)piperidine-3-carboxylate
CID 115534455
1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclobutane-1-carbonitrile
CID 79078849
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)cyclobutane-1-carbonitrile
CID 78994544
1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexane-1-carbonitrile
CID 79079811
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)cyclopentane-1-carbonitrile
CID 60718273
(1-aminocyclopropyl)-[(3R)-3-methoxypyrrolidin-1-yl]methanone;hydrochloride
CID 130609691
1-(4-ethoxypiperidine-1-carbonyl)cyclopropane-1-carbonitrile
CID 80599226
methyl N-[1-(1-cyanocyclopropanecarbonyl)pyrrolidin-3-yl]carbamate
CID 113402275
1-[3-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 106586857
ethane;1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile
CID 144937315
N'-hydroxy-1-(3-methoxypyrrolidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 103536725

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(3-methoxypyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile (CID 103533305) is 1-(3-methoxypyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(3-methoxypyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(3-methoxypyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile is COC1CCN(C(=O)C2(C#N)CCC2)C1.
What is the InChIKey of 1-(3-methoxypyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile?
The InChIKey is LDXBXQIYDSCGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-15-9-3-6-13(7-9)10(14)11(8-12)4-2-5-11/h9H,2-7H2,1H3.
What are the key properties of 1-(3-methoxypyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile?
1-(3-methoxypyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile has a molecular weight of 208.26 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 103533305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).