methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate

C9H13NO4 — CID 121085806

IUPACmethyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
SMILESCOC(=O)NCC(C)(O)c1ccco1
InChIInChI=1S/C9H13NO4/c1-9(12,6-10-8(11)13-2)7-4-3-5-14-7/h3-5,12H,6H2,1-2H3,(H,10,11)
InChIKeyKQDXQZGQXGBMQH-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.84
Rot. Bonds3

About methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate

methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate (PubChem CID 121085806) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
PubChem CID121085806
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Namemethyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
SMILESCOC(=O)NCC(C)(O)c1ccco1
InChIInChI=1S/C9H13NO4/c1-9(12,6-10-8(11)13-2)7-4-3-5-14-7/h3-5,12H,6H2,1-2H3,(H,10,11)
InChIKeyKQDXQZGQXGBMQH-UHFFFAOYSA-N
XLogP0.84
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-yl)-2-hydroxypropyl]cyclopropanecarboxamide
CID 71782530
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-2-methoxybenzamide
CID 95983592
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71782549
2,6-dichloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71975267
3-(furan-2-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide
CID 111481891
N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-phenyloxamide
CID 71782588
2-[[2-(furan-2-yl)-2-hydroxypropyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976425
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpentanamide
CID 111482352
1-[(2S)-3,3-dimethylbutan-2-yl]-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea
CID 95934768
2-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide
CID 71782547

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate?
The IUPAC name of methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate (CID 121085806) is methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate.
What is the SMILES notation for methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate?
The canonical SMILES for methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate is COC(=O)NCC(C)(O)c1ccco1.
What is the InChIKey of methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate?
The InChIKey is KQDXQZGQXGBMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-9(12,6-10-8(11)13-2)7-4-3-5-14-7/h3-5,12H,6H2,1-2H3,(H,10,11).
What are the key properties of methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate?
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate has a molecular weight of 199.21 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate is sourced from PubChem (CID 121085806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).