methyl N-(oxolan-2-ylmethyl)carbamate

C7H13NO3 — CID 4185220

IUPACmethyl N-(oxolan-2-ylmethyl)carbamate
SMILESCOC(=O)NCC1CCCO1
InChIInChI=1S/C7H13NO3/c1-10-7(9)8-5-6-3-2-4-11-6/h6H,2-5H2,1H3,(H,8,9)
InChIKeyQLCDHTHJBUOHEE-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.52
Rot. Bonds2

About methyl N-(oxolan-2-ylmethyl)carbamate

methyl N-(oxolan-2-ylmethyl)carbamate (PubChem CID 4185220) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is methyl N-(oxolan-2-ylmethyl)carbamate.

Molecular Properties

Compound Namemethyl N-(oxolan-2-ylmethyl)carbamate
PubChem CID4185220
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Namemethyl N-(oxolan-2-ylmethyl)carbamate
SMILESCOC(=O)NCC1CCCO1
InChIInChI=1S/C7H13NO3/c1-10-7(9)8-5-6-3-2-4-11-6/h6H,2-5H2,1H3,(H,8,9)
InChIKeyQLCDHTHJBUOHEE-UHFFFAOYSA-N
XLogP0.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Tetrahydro-furan-2-ylmethyl)-urea
CID 3680258
n-(Tetrahydrofuran-2-ylmethyl)acetamide
CID 263164
2,2,2-trifluoroethyl N-(oxolan-2-ylmethyl)carbamate
CID 45792052
N-(oxolan-2-ylmethyl)formamide
CID 18171882
5-Propyloxazolidin-2-one
CID 18442710
2,2,2-trifluoroethyl N-[[(2R)-oxolan-2-yl]methyl]carbamate
CID 51892950
2,2,2-trifluoroethyl N-[[(2S)-oxolan-2-yl]methyl]carbamate
CID 51892951
tert-butyl N-[(3-fluorooxolan-2-yl)methyl]carbamate
CID 165740740
N-Boc-1-(4,4-difluorotetrahydrofuran-2-yl)methanamine
CID 176461262
N-(oxolan-2-ylmethyl)propanamide
CID 4131915
ethyl N-(oxolan-2-ylmethyl)carbamate
CID 5104931
[(2R)-oxolan-2-yl]methylurea
CID 7062938

Frequently Asked Questions

What is the IUPAC name of methyl N-(oxolan-2-ylmethyl)carbamate?
The IUPAC name of methyl N-(oxolan-2-ylmethyl)carbamate (CID 4185220) is methyl N-(oxolan-2-ylmethyl)carbamate.
What is the SMILES notation for methyl N-(oxolan-2-ylmethyl)carbamate?
The canonical SMILES for methyl N-(oxolan-2-ylmethyl)carbamate is COC(=O)NCC1CCCO1.
What is the InChIKey of methyl N-(oxolan-2-ylmethyl)carbamate?
The InChIKey is QLCDHTHJBUOHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-10-7(9)8-5-6-3-2-4-11-6/h6H,2-5H2,1H3,(H,8,9).
What are the key properties of methyl N-(oxolan-2-ylmethyl)carbamate?
methyl N-(oxolan-2-ylmethyl)carbamate has a molecular weight of 159.18 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(oxolan-2-ylmethyl)carbamate is sourced from PubChem (CID 4185220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).