7,7-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepine

C10H14N2 — CID 142291609

IUPAC7,7-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepine
SMILESCC1(C)C=NC=C2CNCC2=C1
InChIInChI=1S/C10H14N2/c1-10(2)3-8-4-11-5-9(8)6-12-7-10/h3,6-7,11H,4-5H2,1-2H3
InChIKeyJUJYHEIPYGUEJK-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.51
Rot. Bonds

About 7,7-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepine

7,7-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepine (PubChem CID 142291609) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 7,7-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepine.

Molecular Properties

Compound Name7,7-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepine
PubChem CID142291609
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name7,7-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepine
SMILESCC1(C)C=NC=C2CNCC2=C1
InChIInChI=1S/C10H14N2/c1-10(2)3-8-4-11-5-9(8)6-12-7-10/h3,6-7,11H,4-5H2,1-2H3
InChIKeyJUJYHEIPYGUEJK-UHFFFAOYSA-N
XLogP1.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,7-Tetrahydropyrrolo[3,4-c]azepine
CID 57288370
7-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepin-7-amine
CID 130295912
5-methyl-2,3-dihydro-1H-pyrrolo[2,3-c]azepin-5-amine
CID 134404988
5-Methyl-1,2,3,5-tetrahydropyrrolo[2,3-c]azepine
CID 137507507
N-[(E)-[(4E)-4-ethylidenepyrrolidin-3-ylidene]methyl]methanimine
CID 139409645
1,2,3,5-Tetrahydropyrrolo[2,3-c]azepine
CID 142155634
5,5-dimethyl-1H-pyrrolo[2,3-c]azepine
CID 143248711
(2E)-N-methyl-2-(4-methylidenepyrrolidin-3-ylidene)ethanimine
CID 145230273
7-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepine-7-thiol
CID 145598091
2,7-Dimethyl-1,3-dihydropyrrolo[3,4-c]azepin-7-amine
CID 155591008
N-[(E)-[(4E)-4-ethylidenepyrrolidin-3-ylidene]methyl]ethanimine
CID 156042440

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepine?
The IUPAC name of 7,7-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepine (CID 142291609) is 7,7-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepine.
What is the SMILES notation for 7,7-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepine?
The canonical SMILES for 7,7-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepine is CC1(C)C=NC=C2CNCC2=C1.
What is the InChIKey of 7,7-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepine?
The InChIKey is JUJYHEIPYGUEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-10(2)3-8-4-11-5-9(8)6-12-7-10/h3,6-7,11H,4-5H2,1-2H3.
What are the key properties of 7,7-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepine?
7,7-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepine has a molecular weight of 162.24 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2,3-dihydro-1H-pyrrolo[3,4-c]azepine is sourced from PubChem (CID 142291609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).