7-methyl-1,2,3,7-tetrahydrocyclohepta[b]pyrrole

C10H13N — CID 171502429

IUPAC7-methyl-1,2,3,7-tetrahydrocyclohepta[b]pyrrole
SMILESCC1C=CC=C2CCNC2=C1
InChIInChI=1S/C10H13N/c1-8-3-2-4-9-5-6-11-10(9)7-8/h2-4,7-8,11H,5-6H2,1H3
InChIKeyKUFOBLSBZWXAJR-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.00
Rot. Bonds

About 7-methyl-1,2,3,7-tetrahydrocyclohepta[b]pyrrole

7-methyl-1,2,3,7-tetrahydrocyclohepta[b]pyrrole (PubChem CID 171502429) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 7-methyl-1,2,3,7-tetrahydrocyclohepta[b]pyrrole.

Molecular Properties

Compound Name7-methyl-1,2,3,7-tetrahydrocyclohepta[b]pyrrole
PubChem CID171502429
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name7-methyl-1,2,3,7-tetrahydrocyclohepta[b]pyrrole
SMILESCC1C=CC=C2CCNC2=C1
InChIInChI=1S/C10H13N/c1-8-3-2-4-9-5-6-11-10(9)7-8/h2-4,7-8,11H,5-6H2,1H3
InChIKeyKUFOBLSBZWXAJR-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,2,3,7-tetrahydrocyclohepta[b]pyrrole?
The IUPAC name of 7-methyl-1,2,3,7-tetrahydrocyclohepta[b]pyrrole (CID 171502429) is 7-methyl-1,2,3,7-tetrahydrocyclohepta[b]pyrrole.
What is the SMILES notation for 7-methyl-1,2,3,7-tetrahydrocyclohepta[b]pyrrole?
The canonical SMILES for 7-methyl-1,2,3,7-tetrahydrocyclohepta[b]pyrrole is CC1C=CC=C2CCNC2=C1.
What is the InChIKey of 7-methyl-1,2,3,7-tetrahydrocyclohepta[b]pyrrole?
The InChIKey is KUFOBLSBZWXAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-8-3-2-4-9-5-6-11-10(9)7-8/h2-4,7-8,11H,5-6H2,1H3.
What are the key properties of 7-methyl-1,2,3,7-tetrahydrocyclohepta[b]pyrrole?
7-methyl-1,2,3,7-tetrahydrocyclohepta[b]pyrrole has a molecular weight of 147.22 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,2,3,7-tetrahydrocyclohepta[b]pyrrole is sourced from PubChem (CID 171502429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).