N-tert-butyl-N-(furan-3-yl)carbamate

C9H12NO3- — CID 66545364

IUPACN-tert-butyl-N-(furan-3-yl)carbamate
SMILESCC(C)(C)N(C(=O)[O-])c1ccoc1
InChIInChI=1S/C9H13NO3/c1-9(2,3)10(8(11)12)7-4-5-13-6-7/h4-6H,1-3H3,(H,11,12)/p-1
InChIKeyLLEQFGCROXPDOO-UHFFFAOYSA-M
MW182.20 g/mol
LogP1.23
Rot. Bonds1

About N-tert-butyl-N-(furan-3-yl)carbamate

N-tert-butyl-N-(furan-3-yl)carbamate (PubChem CID 66545364) has the molecular formula C9H12NO3- and a molecular weight of 182.20 g/mol. Its IUPAC name is N-tert-butyl-N-(furan-3-yl)carbamate.

Molecular Properties

Compound NameN-tert-butyl-N-(furan-3-yl)carbamate
PubChem CID66545364
Molecular FormulaC9H12NO3-
Molecular Weight182.20 g/mol
Exact Mass182.08
IUPAC NameN-tert-butyl-N-(furan-3-yl)carbamate
SMILESCC(C)(C)N(C(=O)[O-])c1ccoc1
InChIInChI=1S/C9H13NO3/c1-9(2,3)10(8(11)12)7-4-5-13-6-7/h4-6H,1-3H3,(H,11,12)/p-1
InChIKeyLLEQFGCROXPDOO-UHFFFAOYSA-M
XLogP1.23
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(furan-3-yl)carbamate
CID 12207186
3-Acetamidofuran
CID 521882
Ammonium, (3-furyl)trimethyl-, iodide
CID 199990
4-(Furan-3-yl)morpholine
CID 12009355
3-Furylaminobutyric acid
CID 68798095
3-Furylurea
CID 101076529
Furan-3-yl(trimethyl)azanium
CID 199991
N-(furan-3-yl)pent-4-enamide
CID 11105709
N-(2-(trimethylsilyl)-3-furyl)carbamic acid 1,1-dimethylethyl ester
CID 129838064
tert-butyl N-(2-iodofuran-3-yl)carbamate
CID 129986947
ethyl N-(2-bromoprop-2-enyl)-N-(furan-3-yl)carbamate
CID 135076654
N,N-diethylfuran-3-amine
CID 12009356

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(furan-3-yl)carbamate?
The IUPAC name of N-tert-butyl-N-(furan-3-yl)carbamate (CID 66545364) is N-tert-butyl-N-(furan-3-yl)carbamate.
What is the SMILES notation for N-tert-butyl-N-(furan-3-yl)carbamate?
The canonical SMILES for N-tert-butyl-N-(furan-3-yl)carbamate is CC(C)(C)N(C(=O)[O-])c1ccoc1.
What is the InChIKey of N-tert-butyl-N-(furan-3-yl)carbamate?
The InChIKey is LLEQFGCROXPDOO-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H13NO3/c1-9(2,3)10(8(11)12)7-4-5-13-6-7/h4-6H,1-3H3,(H,11,12)/p-1.
What are the key properties of N-tert-butyl-N-(furan-3-yl)carbamate?
N-tert-butyl-N-(furan-3-yl)carbamate has a molecular weight of 182.20 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(furan-3-yl)carbamate is sourced from PubChem (CID 66545364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).