6-methyl-1,2,3,6-tetrahydrocyclohepta[c]pyrrole

C10H13N — CID 142981281

IUPAC6-methyl-1,2,3,6-tetrahydrocyclohepta[c]pyrrole
SMILESCC1C=CC2=C(C=C1)CNC2
InChIInChI=1S/C10H13N/c1-8-2-4-9-6-11-7-10(9)5-3-8/h2-5,8,11H,6-7H2,1H3
InChIKeyISYGPVLOQFSSHE-UHFFFAOYSA-N
MW147.22 g/mol
LogP1.65
Rot. Bonds

About 6-methyl-1,2,3,6-tetrahydrocyclohepta[c]pyrrole

6-methyl-1,2,3,6-tetrahydrocyclohepta[c]pyrrole (PubChem CID 142981281) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 6-methyl-1,2,3,6-tetrahydrocyclohepta[c]pyrrole.

Molecular Properties

Compound Name6-methyl-1,2,3,6-tetrahydrocyclohepta[c]pyrrole
PubChem CID142981281
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name6-methyl-1,2,3,6-tetrahydrocyclohepta[c]pyrrole
SMILESCC1C=CC2=C(C=C1)CNC2
InChIInChI=1S/C10H13N/c1-8-2-4-9-6-11-7-10(9)5-3-8/h2-5,8,11H,6-7H2,1H3
InChIKeyISYGPVLOQFSSHE-UHFFFAOYSA-N
XLogP1.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,7-dimethyl-4,7-dihydro-1H-cyclohepta[c]pyridin-3-one
CID 142032515
1,6-dimethyl-3,6-dihydro-2H-cyclohepta[b]pyrrole
CID 143655105
ethane;(7R)-7-methyl-7,10-dihydrobenzo[a]azulene
CID 145348138
4-methylcyclohexa-2,5-diene-1-thione
CID 129294481
6-methyl-2-propan-2-yl-1,6-dihydrocyclohepta[d]imidazole
CID 145372041
methanol;1-methyl-4,5,6,7-tetrahydro-1H-indene;titanium
CID 175591795
5,9,13-trimethyl-9-azatricyclo[8.5.0.02,8]pentadeca-1(10),2(8),3,6,11,14-hexaene
CID 143010057
ethane;8-methyl-8,11-dihydrocyclohepta[b]thiochromene 5,5-dioxide
CID 164875727
3,4-dimethyl-2,5-dihydro-1H-pyrrole;methylphosphane
CID 144939825
2,3,4,5-tetrahydro-1H-cyclopenta[c]pyridin-4-ol
CID 135590582
7-methyl-7H-pyrrolo[1,2-a]azepine
CID 171812498
(2R,3S)-bicyclo[4.2.0]octa-1(6),4-diene-2,3-diol
CID 10558683

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,2,3,6-tetrahydrocyclohepta[c]pyrrole?
The IUPAC name of 6-methyl-1,2,3,6-tetrahydrocyclohepta[c]pyrrole (CID 142981281) is 6-methyl-1,2,3,6-tetrahydrocyclohepta[c]pyrrole.
What is the SMILES notation for 6-methyl-1,2,3,6-tetrahydrocyclohepta[c]pyrrole?
The canonical SMILES for 6-methyl-1,2,3,6-tetrahydrocyclohepta[c]pyrrole is CC1C=CC2=C(C=C1)CNC2.
What is the InChIKey of 6-methyl-1,2,3,6-tetrahydrocyclohepta[c]pyrrole?
The InChIKey is ISYGPVLOQFSSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-8-2-4-9-6-11-7-10(9)5-3-8/h2-5,8,11H,6-7H2,1H3.
What are the key properties of 6-methyl-1,2,3,6-tetrahydrocyclohepta[c]pyrrole?
6-methyl-1,2,3,6-tetrahydrocyclohepta[c]pyrrole has a molecular weight of 147.22 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,2,3,6-tetrahydrocyclohepta[c]pyrrole is sourced from PubChem (CID 142981281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).