ethyl N-[1-(furan-2-yl)ethyl]carbamate

C9H13NO3 — CID 60660951

IUPACethyl N-[1-(furan-2-yl)ethyl]carbamate
SMILESCCOC(=O)NC(C)c1ccco1
InChIInChI=1S/C9H13NO3/c1-3-12-9(11)10-7(2)8-5-4-6-13-8/h4-7H,3H2,1-2H3,(H,10,11)
InChIKeyLFLMBUXZYVSMGH-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.09
Rot. Bonds3

About ethyl N-[1-(furan-2-yl)ethyl]carbamate

ethyl N-[1-(furan-2-yl)ethyl]carbamate (PubChem CID 60660951) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is ethyl N-[1-(furan-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(furan-2-yl)ethyl]carbamate
PubChem CID60660951
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Nameethyl N-[1-(furan-2-yl)ethyl]carbamate
SMILESCCOC(=O)NC(C)c1ccco1
InChIInChI=1S/C9H13NO3/c1-3-12-9(11)10-7(2)8-5-4-6-13-8/h4-7H,3H2,1-2H3,(H,10,11)
InChIKeyLFLMBUXZYVSMGH-UHFFFAOYSA-N
XLogP2.09
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[(1S)-1-(furan-2-yl)ethyl]carbamate
CID 81401192
2-hydroxyethyl N-[1-(furan-2-yl)ethyl]carbamate
CID 79345496
ethyl 2-[1-(furan-2-yl)ethylamino]propanoate
CID 61498285
ethyl 3-[[(1S)-1-(furan-2-yl)ethyl]amino]butanoate
CID 81399972
ethyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetate
CID 62013143
ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate
CID 60651451
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
3-amino-N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpropanamide
CID 81400789
3-amino-N-[(1R)-1-(furan-2-yl)ethyl]butanamide
CID 81400293
2-(ethylamino)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 81400688
(2S)-2-amino-N-[1-(furan-2-yl)ethyl]pentanamide
CID 107568236
ethyl 4-[1-(furan-2-yl)ethylamino]-3-hydroxybutanoate
CID 103238482

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(furan-2-yl)ethyl]carbamate?
The IUPAC name of ethyl N-[1-(furan-2-yl)ethyl]carbamate (CID 60660951) is ethyl N-[1-(furan-2-yl)ethyl]carbamate.
What is the SMILES notation for ethyl N-[1-(furan-2-yl)ethyl]carbamate?
The canonical SMILES for ethyl N-[1-(furan-2-yl)ethyl]carbamate is CCOC(=O)NC(C)c1ccco1.
What is the InChIKey of ethyl N-[1-(furan-2-yl)ethyl]carbamate?
The InChIKey is LFLMBUXZYVSMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-3-12-9(11)10-7(2)8-5-4-6-13-8/h4-7H,3H2,1-2H3,(H,10,11).
What are the key properties of ethyl N-[1-(furan-2-yl)ethyl]carbamate?
ethyl N-[1-(furan-2-yl)ethyl]carbamate has a molecular weight of 183.21 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(furan-2-yl)ethyl]carbamate is sourced from PubChem (CID 60660951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).