furan-3-ylmethyl carbamate

C6H7NO3 — CID 10149001

IUPACfuran-3-ylmethyl carbamate
SMILESNC(=O)OCc1ccoc1
InChIInChI=1S/C6H7NO3/c7-6(8)10-4-5-1-2-9-3-5/h1-3H,4H2,(H2,7,8)
InChIKeyVYAVHZXYPWIZHC-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.87
Rot. Bonds2

About furan-3-ylmethyl carbamate

furan-3-ylmethyl carbamate (PubChem CID 10149001) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is furan-3-ylmethyl carbamate.

Molecular Properties

Compound Namefuran-3-ylmethyl carbamate
PubChem CID10149001
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Namefuran-3-ylmethyl carbamate
SMILESNC(=O)OCc1ccoc1
InChIInChI=1S/C6H7NO3/c7-6(8)10-4-5-1-2-9-3-5/h1-3H,4H2,(H2,7,8)
InChIKeyVYAVHZXYPWIZHC-UHFFFAOYSA-N
XLogP0.87
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl furan-3-carboxylate
CID 14918
3-Furanmethanol
CID 20449
Ethyl 3-furoate
CID 69201
Acetylfuran-3-carboxylate
CID 91700613
3-Hydroxymethylfuran-N-ethylcarbamate
CID 170934
3-Furylmethyl acetate
CID 566611
Furan-3-ylmethyl 2-methylbutanoate
CID 57828723
Furan-3-ylmethyl butanoate
CID 139696747
Propyl Furan-3-carboxylate
CID 3792304
3-(But-2-ynoxymethyl)furan
CID 85904767
Furan-3-ylmethyl 2-methylpropanoate
CID 171935622
Furan-3-ylmethyl 3-methylbutanoate
CID 171935625

Frequently Asked Questions

What is the IUPAC name of furan-3-ylmethyl carbamate?
The IUPAC name of furan-3-ylmethyl carbamate (CID 10149001) is furan-3-ylmethyl carbamate.
What is the SMILES notation for furan-3-ylmethyl carbamate?
The canonical SMILES for furan-3-ylmethyl carbamate is NC(=O)OCc1ccoc1.
What is the InChIKey of furan-3-ylmethyl carbamate?
The InChIKey is VYAVHZXYPWIZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c7-6(8)10-4-5-1-2-9-3-5/h1-3H,4H2,(H2,7,8).
What are the key properties of furan-3-ylmethyl carbamate?
furan-3-ylmethyl carbamate has a molecular weight of 141.13 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-ylmethyl carbamate is sourced from PubChem (CID 10149001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).