(2-methylpyrrolidin-2-yl)methyl carbamate

C7H14N2O2 — CID 175172887

IUPAC(2-methylpyrrolidin-2-yl)methyl carbamate
SMILESCC1(COC(N)=O)CCCN1
InChIInChI=1S/C7H14N2O2/c1-7(3-2-4-9-7)5-11-6(8)10/h9H,2-5H2,1H3,(H2,8,10)
InChIKeyGGWWVWNELRRAEB-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.22
Rot. Bonds2

About (2-methylpyrrolidin-2-yl)methyl carbamate

(2-methylpyrrolidin-2-yl)methyl carbamate (PubChem CID 175172887) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2-methylpyrrolidin-2-yl)methyl carbamate.

Molecular Properties

Compound Name(2-methylpyrrolidin-2-yl)methyl carbamate
PubChem CID175172887
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name(2-methylpyrrolidin-2-yl)methyl carbamate
SMILESCC1(COC(N)=O)CCCN1
InChIInChI=1S/C7H14N2O2/c1-7(3-2-4-9-7)5-11-6(8)10/h9H,2-5H2,1H3,(H2,8,10)
InChIKeyGGWWVWNELRRAEB-UHFFFAOYSA-N
XLogP0.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-methylpyrrolidin-2-yl]methanol
CID 51656383
N-[(2-methylpyrrolidin-2-yl)methyl]propanamide
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tert-butyl hydrogen carbonate;(2-methylpyrrolidin-2-yl)methanol
CID 174805549
2-[(2-methylpiperidine-2-carbonyl)amino]ethyl carbamate
CID 104597200
ethyl (2S)-2-methylpyrrolidine-2-carboxylate
CID 45115906
(1-ethylcyclobutyl)methyl carbamate
CID 59266818
N-[(2-methylpyrrolidin-2-yl)methyl]hexanamide
CID 114761896
N-[(2-methylpyrrolidin-2-yl)methyl]prop-2-ynamide
CID 130542642
(2R)-2-methylpyrrolidin-2-ol
CID 146841570
2-methyl-2-(2-methylsulfonylethyl)pyrrolidine
CID 66467821
1-(3-methylbutan-2-yl)-3-[(2-methylpyrrolidin-2-yl)methyl]urea
CID 165463454
N-(2-amino-2-oxoethoxy)-2-methylpiperidine-2-carboxamide
CID 104597213

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrrolidin-2-yl)methyl carbamate?
The IUPAC name of (2-methylpyrrolidin-2-yl)methyl carbamate (CID 175172887) is (2-methylpyrrolidin-2-yl)methyl carbamate.
What is the SMILES notation for (2-methylpyrrolidin-2-yl)methyl carbamate?
The canonical SMILES for (2-methylpyrrolidin-2-yl)methyl carbamate is CC1(COC(N)=O)CCCN1.
What is the InChIKey of (2-methylpyrrolidin-2-yl)methyl carbamate?
The InChIKey is GGWWVWNELRRAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-7(3-2-4-9-7)5-11-6(8)10/h9H,2-5H2,1H3,(H2,8,10).
What are the key properties of (2-methylpyrrolidin-2-yl)methyl carbamate?
(2-methylpyrrolidin-2-yl)methyl carbamate has a molecular weight of 158.20 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrrolidin-2-yl)methyl carbamate is sourced from PubChem (CID 175172887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).