5,5-dimethyl-1H-pyrrolo[2,3-c]azepine;ethane

C12H18N2 — CID 143593388

IUPAC5,5-dimethyl-1H-pyrrolo[2,3-c]azepine;ethane
SMILESCC.CC1(C)C=NC=c2[nH]ccc2=C1
InChIInChI=1S/C10H12N2.C2H6/c1-10(2)5-8-3-4-12-9(8)6-11-7-10;1-2/h3-7,12H,1-2H3;1-2H3
InChIKeyRRANEVZJJUVYQZ-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.67
Rot. Bonds

About 5,5-dimethyl-1H-pyrrolo[2,3-c]azepine;ethane

5,5-dimethyl-1H-pyrrolo[2,3-c]azepine;ethane (PubChem CID 143593388) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 5,5-dimethyl-1H-pyrrolo[2,3-c]azepine;ethane.

Molecular Properties

Compound Name5,5-dimethyl-1H-pyrrolo[2,3-c]azepine;ethane
PubChem CID143593388
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name5,5-dimethyl-1H-pyrrolo[2,3-c]azepine;ethane
SMILESCC.CC1(C)C=NC=c2[nH]ccc2=C1
InChIInChI=1S/C10H12N2.C2H6/c1-10(2)5-8-3-4-12-9(8)6-11-7-10;1-2/h3-7,12H,1-2H3;1-2H3
InChIKeyRRANEVZJJUVYQZ-UHFFFAOYSA-N
XLogP1.67
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-tert-butyl-5-methyl-1,6-dihydroindole
CID 143722816
5-iodo-5-methyl-1,6-dihydroindole
CID 71170652
ethane;2,6,6-trimethyl-1,4-diazepine
CID 142544824
7-methyl-1H-cyclohepta[b]pyrrole-7-thiol
CID 144790122
1H-pyrrolo[2,3-d]azocine
CID 71361481
1,5-dihydrocyclohepta[b]pyrrole;ethane;molecular hydrogen
CID 142049480
2,3-dimethyl-1H-pyrrole;ethane
CID 91612743
4,7-dimethyl-1H-pyrrolo[3,2-c]pyridine;ethane
CID 145006450
ethane;4-methyl-5H-pyrrolo[3,2-d]pyrimidine
CID 143935779
1,6-dihydropyrrolo[3,2-b]pyridin-5-one
CID 137253734
ethane;7-methyl-1H-pyrrolo[3,2-b]pyridine
CID 143910334
7-methyl-1,7-dihydropyrrolo[3,2-b]azepine
CID 137252694

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1H-pyrrolo[2,3-c]azepine;ethane?
The IUPAC name of 5,5-dimethyl-1H-pyrrolo[2,3-c]azepine;ethane (CID 143593388) is 5,5-dimethyl-1H-pyrrolo[2,3-c]azepine;ethane.
What is the SMILES notation for 5,5-dimethyl-1H-pyrrolo[2,3-c]azepine;ethane?
The canonical SMILES for 5,5-dimethyl-1H-pyrrolo[2,3-c]azepine;ethane is CC.CC1(C)C=NC=c2[nH]ccc2=C1.
What is the InChIKey of 5,5-dimethyl-1H-pyrrolo[2,3-c]azepine;ethane?
The InChIKey is RRANEVZJJUVYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C2H6/c1-10(2)5-8-3-4-12-9(8)6-11-7-10;1-2/h3-7,12H,1-2H3;1-2H3.
What are the key properties of 5,5-dimethyl-1H-pyrrolo[2,3-c]azepine;ethane?
5,5-dimethyl-1H-pyrrolo[2,3-c]azepine;ethane has a molecular weight of 190.29 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1H-pyrrolo[2,3-c]azepine;ethane is sourced from PubChem (CID 143593388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).