6-methyl-6-propan-2-yl-2,3-dihydrofuro[3,2-b]azepine

C12H17NO — CID 156794082

IUPAC6-methyl-6-propan-2-yl-2,3-dihydrofuro[3,2-b]azepine
SMILESCC(C)C1(C)C=CC2=C(CCO2)N=C1
InChIInChI=1S/C12H17NO/c1-9(2)12(3)6-4-11-10(13-8-12)5-7-14-11/h4,6,8-9H,5,7H2,1-3H3
InChIKeyUULNNZUGEIGSEG-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.92
Rot. Bonds1

About 6-methyl-6-propan-2-yl-2,3-dihydrofuro[3,2-b]azepine

6-methyl-6-propan-2-yl-2,3-dihydrofuro[3,2-b]azepine (PubChem CID 156794082) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 6-methyl-6-propan-2-yl-2,3-dihydrofuro[3,2-b]azepine.

Molecular Properties

Compound Name6-methyl-6-propan-2-yl-2,3-dihydrofuro[3,2-b]azepine
PubChem CID156794082
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name6-methyl-6-propan-2-yl-2,3-dihydrofuro[3,2-b]azepine
SMILESCC(C)C1(C)C=CC2=C(CCO2)N=C1
InChIInChI=1S/C12H17NO/c1-9(2)12(3)6-4-11-10(13-8-12)5-7-14-11/h4,6,8-9H,5,7H2,1-3H3
InChIKeyUULNNZUGEIGSEG-UHFFFAOYSA-N
XLogP2.92
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-propan-2-yl-2,3-dihydrofuro[3,2-b]azepine?
The IUPAC name of 6-methyl-6-propan-2-yl-2,3-dihydrofuro[3,2-b]azepine (CID 156794082) is 6-methyl-6-propan-2-yl-2,3-dihydrofuro[3,2-b]azepine.
What is the SMILES notation for 6-methyl-6-propan-2-yl-2,3-dihydrofuro[3,2-b]azepine?
The canonical SMILES for 6-methyl-6-propan-2-yl-2,3-dihydrofuro[3,2-b]azepine is CC(C)C1(C)C=CC2=C(CCO2)N=C1.
What is the InChIKey of 6-methyl-6-propan-2-yl-2,3-dihydrofuro[3,2-b]azepine?
The InChIKey is UULNNZUGEIGSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(2)12(3)6-4-11-10(13-8-12)5-7-14-11/h4,6,8-9H,5,7H2,1-3H3.
What are the key properties of 6-methyl-6-propan-2-yl-2,3-dihydrofuro[3,2-b]azepine?
6-methyl-6-propan-2-yl-2,3-dihydrofuro[3,2-b]azepine has a molecular weight of 191.27 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-propan-2-yl-2,3-dihydrofuro[3,2-b]azepine is sourced from PubChem (CID 156794082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).