(3,3-dimethyl-2H-1-benzofuran-6-yl) carbamate

C11H13NO3 — CID 175536029

IUPAC(3,3-dimethyl-2H-1-benzofuran-6-yl) carbamate
SMILESCC1(C)COc2cc(OC(N)=O)ccc21
InChIInChI=1S/C11H13NO3/c1-11(2)6-14-9-5-7(15-10(12)13)3-4-8(9)11/h3-5H,6H2,1-2H3,(H2,12,13)
InChIKeyDTTRVKZBLVVFKP-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.81
Rot. Bonds1

About (3,3-dimethyl-2H-1-benzofuran-6-yl) carbamate

(3,3-dimethyl-2H-1-benzofuran-6-yl) carbamate (PubChem CID 175536029) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (3,3-dimethyl-2H-1-benzofuran-6-yl) carbamate.

Molecular Properties

Compound Name(3,3-dimethyl-2H-1-benzofuran-6-yl) carbamate
PubChem CID175536029
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(3,3-dimethyl-2H-1-benzofuran-6-yl) carbamate
SMILESCC1(C)COc2cc(OC(N)=O)ccc21
InChIInChI=1S/C11H13NO3/c1-11(2)6-14-9-5-7(15-10(12)13)3-4-8(9)11/h3-5H,6H2,1-2H3,(H2,12,13)
InChIKeyDTTRVKZBLVVFKP-UHFFFAOYSA-N
XLogP1.81
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methoxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran
CID 11127072
4-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, carbamate
CID 57802
3,5-Dimethyl-2,3-dihydrofuro[3,2-g]chromen-7-one
CID 10751199
Carbamic acid, dimethyl-, 3-(3-(dimethylamino)propoxy)-4-(1,1-dimethylethyl)phenyl ester, monohydrochloride
CID 3088520
3,3-Dimethyl-2,3-dihydro-1-benzofuran-6-ol
CID 21485219
3-Methyl-2,3-dihydrofuro[3,2-g]chromen-7-one
CID 44360510
4-Methyl-4',5'-dihydropsoralen
CID 146931
2,3-Dihydro-1-benzofuran-6-yl acetate
CID 239968
(2,2-dimethyl-3H-1-benzofuran-6-yl) N-methylcarbamate
CID 58801130
1,3-Dihydro-2,2-dimethyl-7 benzofuranylmethyl carbamate
CID 54471045
2,3-Dihydro-6-methoxy-2-methylbenzofuran
CID 57745285
6-Methoxy-2,2-dimethyl-2,3-dihydrobenzofuran
CID 102042545

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyl-2H-1-benzofuran-6-yl) carbamate?
The IUPAC name of (3,3-dimethyl-2H-1-benzofuran-6-yl) carbamate (CID 175536029) is (3,3-dimethyl-2H-1-benzofuran-6-yl) carbamate.
What is the SMILES notation for (3,3-dimethyl-2H-1-benzofuran-6-yl) carbamate?
The canonical SMILES for (3,3-dimethyl-2H-1-benzofuran-6-yl) carbamate is CC1(C)COc2cc(OC(N)=O)ccc21.
What is the InChIKey of (3,3-dimethyl-2H-1-benzofuran-6-yl) carbamate?
The InChIKey is DTTRVKZBLVVFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-11(2)6-14-9-5-7(15-10(12)13)3-4-8(9)11/h3-5H,6H2,1-2H3,(H2,12,13).
What are the key properties of (3,3-dimethyl-2H-1-benzofuran-6-yl) carbamate?
(3,3-dimethyl-2H-1-benzofuran-6-yl) carbamate has a molecular weight of 207.23 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-2H-1-benzofuran-6-yl) carbamate is sourced from PubChem (CID 175536029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).