3-methyl-1,7-dihydrocyclohepta[c]pyrrole

C10H11N — CID 143453289

IUPAC3-methyl-1,7-dihydrocyclohepta[c]pyrrole
SMILESCC1=NCC2=CCC=CC=C21
InChIInChI=1S/C10H11N/c1-8-10-6-4-2-3-5-9(10)7-11-8/h2,4-6H,3,7H2,1H3
InChIKeySBACRRMXAYIBJD-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.27
Rot. Bonds

About 3-methyl-1,7-dihydrocyclohepta[c]pyrrole

3-methyl-1,7-dihydrocyclohepta[c]pyrrole (PubChem CID 143453289) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-methyl-1,7-dihydrocyclohepta[c]pyrrole.

Molecular Properties

Compound Name3-methyl-1,7-dihydrocyclohepta[c]pyrrole
PubChem CID143453289
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name3-methyl-1,7-dihydrocyclohepta[c]pyrrole
SMILESCC1=NCC2=CCC=CC=C21
InChIInChI=1S/C10H11N/c1-8-10-6-4-2-3-5-9(10)7-11-8/h2,4-6H,3,7H2,1H3
InChIKeySBACRRMXAYIBJD-UHFFFAOYSA-N
XLogP2.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,7-dihydrocyclohepta[c]pyrrole?
The IUPAC name of 3-methyl-1,7-dihydrocyclohepta[c]pyrrole (CID 143453289) is 3-methyl-1,7-dihydrocyclohepta[c]pyrrole.
What is the SMILES notation for 3-methyl-1,7-dihydrocyclohepta[c]pyrrole?
The canonical SMILES for 3-methyl-1,7-dihydrocyclohepta[c]pyrrole is CC1=NCC2=CCC=CC=C21.
What is the InChIKey of 3-methyl-1,7-dihydrocyclohepta[c]pyrrole?
The InChIKey is SBACRRMXAYIBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-8-10-6-4-2-3-5-9(10)7-11-8/h2,4-6H,3,7H2,1H3.
What are the key properties of 3-methyl-1,7-dihydrocyclohepta[c]pyrrole?
3-methyl-1,7-dihydrocyclohepta[c]pyrrole has a molecular weight of 145.20 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,7-dihydrocyclohepta[c]pyrrole is sourced from PubChem (CID 143453289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).