furan-3-ylmethyl N-propan-2-ylcarbamate

C9H13NO3 — CID 58805073

IUPACfuran-3-ylmethyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OCc1ccoc1
InChIInChI=1S/C9H13NO3/c1-7(2)10-9(11)13-6-8-3-4-12-5-8/h3-5,7H,6H2,1-2H3,(H,10,11)
InChIKeyHWINMYVQULTXQP-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.91
Rot. Bonds3

About furan-3-ylmethyl N-propan-2-ylcarbamate

furan-3-ylmethyl N-propan-2-ylcarbamate (PubChem CID 58805073) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is furan-3-ylmethyl N-propan-2-ylcarbamate.

Molecular Properties

Compound Namefuran-3-ylmethyl N-propan-2-ylcarbamate
PubChem CID58805073
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Namefuran-3-ylmethyl N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OCc1ccoc1
InChIInChI=1S/C9H13NO3/c1-7(2)10-9(11)13-6-8-3-4-12-5-8/h3-5,7H,6H2,1-2H3,(H,10,11)
InChIKeyHWINMYVQULTXQP-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

furan-3-ylmethyl N-methylcarbamate
CID 57025329
(3-methoxyphenyl)methyl N-propan-2-ylcarbamate
CID 23548690
tert-butyl 2-(furan-3-ylmethylamino)propanoate
CID 115626166
[2,6-difluoro-4-(propan-2-ylcarbamoyloxymethyl)phenyl] 2-methylpropanoate
CID 170256035
1-(furan-3-ylmethoxy)propan-2-ol
CID 54244797
benzyl N-[(2S)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate
CID 70701209
methyl 2-[furan-3-ylmethyl(propan-2-yl)amino]acetate
CID 83029917
furan-3-ylmethyl (2S)-2-(diethylamino)-2-phenylacetate
CID 97262289
4-amino-1-(furan-3-yl)pentan-2-one
CID 116555995
2-phenylethyl N-propan-2-ylcarbamate
CID 23548887
2-(butoxycarbonylamino)-3-(furan-3-yl)propanoic acid
CID 68824494
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564

Frequently Asked Questions

What is the IUPAC name of furan-3-ylmethyl N-propan-2-ylcarbamate?
The IUPAC name of furan-3-ylmethyl N-propan-2-ylcarbamate (CID 58805073) is furan-3-ylmethyl N-propan-2-ylcarbamate.
What is the SMILES notation for furan-3-ylmethyl N-propan-2-ylcarbamate?
The canonical SMILES for furan-3-ylmethyl N-propan-2-ylcarbamate is CC(C)NC(=O)OCc1ccoc1.
What is the InChIKey of furan-3-ylmethyl N-propan-2-ylcarbamate?
The InChIKey is HWINMYVQULTXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-7(2)10-9(11)13-6-8-3-4-12-5-8/h3-5,7H,6H2,1-2H3,(H,10,11).
What are the key properties of furan-3-ylmethyl N-propan-2-ylcarbamate?
furan-3-ylmethyl N-propan-2-ylcarbamate has a molecular weight of 183.21 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-ylmethyl N-propan-2-ylcarbamate is sourced from PubChem (CID 58805073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).