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

C10H12N2 — CID 143248711

IUPAC5,5-dimethyl-1H-pyrrolo[2,3-c]azepine
SMILESCC1(C)C=NC=c2[nH]ccc2=C1
InChIInChI=1S/C10H12N2/c1-10(2)5-8-3-4-12-9(8)6-11-7-10/h3-7,12H,1-2H3
InChIKeyQECBKWINTWKQBV-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.64
Rot. Bonds

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

5,5-dimethyl-1H-pyrrolo[2,3-c]azepine (PubChem CID 143248711) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 5,5-dimethyl-1H-pyrrolo[2,3-c]azepine.

Molecular Properties

Compound Name5,5-dimethyl-1H-pyrrolo[2,3-c]azepine
PubChem CID143248711
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name5,5-dimethyl-1H-pyrrolo[2,3-c]azepine
SMILESCC1(C)C=NC=c2[nH]ccc2=C1
InChIInChI=1S/C10H12N2/c1-10(2)5-8-3-4-12-9(8)6-11-7-10/h3-7,12H,1-2H3
InChIKeyQECBKWINTWKQBV-UHFFFAOYSA-N
XLogP0.64
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3H-Pyrrolo[3,2-f]quinoline-1-methanamine, N,N-dimethyl-
CID 135530303
10-methyl-9-methylidene-8H-pyrrolo[2,3-d]azonine
CID 91195157
(6Z)-1H-Pyrrolo[2,3-d]azocine
CID 121232937
Dihydropyrrolo[3,2-c]azepine
CID 129861020
1,7-Dihydropyrrolo[3,2-c]azepine
CID 56997363
1,5-Dihydropyrrolo[2,3-c]azepine
CID 57325040
N-[(Z)-[(2E)-2-ethylidene-1H-pyrrol-3-ylidene]methyl]methanimine
CID 59893816
1,5-Dihydropyrrolo[3,2-c]azepine
CID 69843539
N-[(2-ethylidene-1H-pyrrol-3-ylidene)methyl]methanimine
CID 72589881
1,8-Dihydro-1,10-phenanthroline
CID 87724484
3,4,8,8-tetramethyl-1H-1,10-phenanthroline
CID 88519204
5-Methyl-1,5-dihydropyrrolo[2,3-c]azepine
CID 89029100

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1H-pyrrolo[2,3-c]azepine?
The IUPAC name of 5,5-dimethyl-1H-pyrrolo[2,3-c]azepine (CID 143248711) is 5,5-dimethyl-1H-pyrrolo[2,3-c]azepine.
What is the SMILES notation for 5,5-dimethyl-1H-pyrrolo[2,3-c]azepine?
The canonical SMILES for 5,5-dimethyl-1H-pyrrolo[2,3-c]azepine is CC1(C)C=NC=c2[nH]ccc2=C1.
What is the InChIKey of 5,5-dimethyl-1H-pyrrolo[2,3-c]azepine?
The InChIKey is QECBKWINTWKQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-10(2)5-8-3-4-12-9(8)6-11-7-10/h3-7,12H,1-2H3.
What are the key properties of 5,5-dimethyl-1H-pyrrolo[2,3-c]azepine?
5,5-dimethyl-1H-pyrrolo[2,3-c]azepine has a molecular weight of 160.22 g/mol, XLogP of 0.64, 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 is sourced from PubChem (CID 143248711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).