methyl N-[1-(1-cyanocyclopropanecarbonyl)pyrrolidin-3-yl]carbamate

C11H15N3O3 — CID 113402275

IUPACmethyl N-[1-(1-cyanocyclopropanecarbonyl)pyrrolidin-3-yl]carbamate
SMILESCOC(=O)NC1CCN(C(=O)C2(C#N)CC2)C1
InChIInChI=1S/C11H15N3O3/c1-17-10(16)13-8-2-5-14(6-8)9(15)11(7-12)3-4-11/h8H,2-6H2,1H3,(H,13,16)
InChIKeyUWIFOZOBHZRDHY-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.25
Rot. Bonds2

About methyl N-[1-(1-cyanocyclopropanecarbonyl)pyrrolidin-3-yl]carbamate

methyl N-[1-(1-cyanocyclopropanecarbonyl)pyrrolidin-3-yl]carbamate (PubChem CID 113402275) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is methyl N-[1-(1-cyanocyclopropanecarbonyl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(1-cyanocyclopropanecarbonyl)pyrrolidin-3-yl]carbamate
PubChem CID113402275
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Namemethyl N-[1-(1-cyanocyclopropanecarbonyl)pyrrolidin-3-yl]carbamate
SMILESCOC(=O)NC1CCN(C(=O)C2(C#N)CC2)C1
InChIInChI=1S/C11H15N3O3/c1-17-10(16)13-8-2-5-14(6-8)9(15)11(7-12)3-4-11/h8H,2-6H2,1H3,(H,13,16)
InChIKeyUWIFOZOBHZRDHY-UHFFFAOYSA-N
XLogP0.25
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxypyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile
CID 103533305
methyl 1-(1-cyanocyclopentanecarbonyl)piperidine-4-carboxylate
CID 60718203
1-[3-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 106586857
methyl 1-(1-cyanocycloheptanecarbonyl)piperidine-3-carboxylate
CID 115534455
methyl N-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)pyrrolidin-3-yl]carbamate
CID 106981194
propan-2-yl 3-(methoxycarbonylamino)pyrrolidine-1-carboxylate
CID 116657633
1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile
CID 118199294
1-(3-azabicyclo[3.2.0]heptane-3-carbonyl)cyclopropane-1-carbonitrile
CID 164651159
1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 114797594
1-(4-ethoxypiperidine-1-carbonyl)cyclopropane-1-carbonitrile
CID 80599226
3-methyl-1-(3-methylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile
CID 80501516
methyl N-[1-(2-amino-3,3-dimethylbutanoyl)pyrrolidin-3-yl]carbamate
CID 113402196

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(1-cyanocyclopropanecarbonyl)pyrrolidin-3-yl]carbamate?
The IUPAC name of methyl N-[1-(1-cyanocyclopropanecarbonyl)pyrrolidin-3-yl]carbamate (CID 113402275) is methyl N-[1-(1-cyanocyclopropanecarbonyl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[1-(1-cyanocyclopropanecarbonyl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for methyl N-[1-(1-cyanocyclopropanecarbonyl)pyrrolidin-3-yl]carbamate is COC(=O)NC1CCN(C(=O)C2(C#N)CC2)C1.
What is the InChIKey of methyl N-[1-(1-cyanocyclopropanecarbonyl)pyrrolidin-3-yl]carbamate?
The InChIKey is UWIFOZOBHZRDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-17-10(16)13-8-2-5-14(6-8)9(15)11(7-12)3-4-11/h8H,2-6H2,1H3,(H,13,16).
What are the key properties of methyl N-[1-(1-cyanocyclopropanecarbonyl)pyrrolidin-3-yl]carbamate?
methyl N-[1-(1-cyanocyclopropanecarbonyl)pyrrolidin-3-yl]carbamate has a molecular weight of 237.26 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(1-cyanocyclopropanecarbonyl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 113402275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).