1-(furan-2-yl)propan-2-yl carbamate

C8H11NO3 — CID 67843163

IUPAC1-(furan-2-yl)propan-2-yl carbamate
SMILESCC(Cc1ccco1)OC(N)=O
InChIInChI=1S/C8H11NO3/c1-6(12-8(9)10)5-7-3-2-4-11-7/h2-4,6H,5H2,1H3,(H2,9,10)
InChIKeyDJQIFKBXJKXGCZ-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.31
Rot. Bonds3

About 1-(furan-2-yl)propan-2-yl carbamate

1-(furan-2-yl)propan-2-yl carbamate (PubChem CID 67843163) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-(furan-2-yl)propan-2-yl carbamate.

Molecular Properties

Compound Name1-(furan-2-yl)propan-2-yl carbamate
PubChem CID67843163
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name1-(furan-2-yl)propan-2-yl carbamate
SMILESCC(Cc1ccco1)OC(N)=O
InChIInChI=1S/C8H11NO3/c1-6(12-8(9)10)5-7-3-2-4-11-7/h2-4,6H,5H2,1H3,(H2,9,10)
InChIKeyDJQIFKBXJKXGCZ-UHFFFAOYSA-N
XLogP1.31
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(furan-2-ylmethyl)-3-methoxy-3-oxopropanoic acid
CID 97184369
methyl (2S)-3-(furan-2-yl)-2-hydroxypropanoate
CID 15638338
propyl 3-(furan-2-yl)-2-methylpropanoate
CID 175280714
2-(2-methylpropyl)furan;propanoic acid
CID 158583493
ethyl 2-amino-3-(furan-2-yl)propanoate
CID 22608494
3-(furan-2-ylmethyl)pentane-2,4-dione
CID 101387929
methyl 2-(aminomethyl)-3-(furan-2-yl)propanoate
CID 43148182
benzyl 3-(furan-2-yl)-2-methylpropanoate
CID 132501734
2-[1-(furan-2-yl)propan-2-ylamino]butanamide
CID 62899658
(2S)-2-(furan-2-ylmethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 91666114
ethyl 2-(aminomethyl)-3-(furan-2-yl)propanoate
CID 43148329
4-[1-(furan-2-yl)propan-2-ylamino]cyclohexane-1-carboxamide
CID 55181509

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)propan-2-yl carbamate?
The IUPAC name of 1-(furan-2-yl)propan-2-yl carbamate (CID 67843163) is 1-(furan-2-yl)propan-2-yl carbamate.
What is the SMILES notation for 1-(furan-2-yl)propan-2-yl carbamate?
The canonical SMILES for 1-(furan-2-yl)propan-2-yl carbamate is CC(Cc1ccco1)OC(N)=O.
What is the InChIKey of 1-(furan-2-yl)propan-2-yl carbamate?
The InChIKey is DJQIFKBXJKXGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-6(12-8(9)10)5-7-3-2-4-11-7/h2-4,6H,5H2,1H3,(H2,9,10).
What are the key properties of 1-(furan-2-yl)propan-2-yl carbamate?
1-(furan-2-yl)propan-2-yl carbamate has a molecular weight of 169.18 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)propan-2-yl carbamate is sourced from PubChem (CID 67843163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).