2-methyl-7-propyl-1,7-dihydrocyclohepta[b]pyrrole

C13H17N — CID 123601273

IUPAC2-methyl-7-propyl-1,7-dihydrocyclohepta[b]pyrrole
SMILESCCCC1C=CC=c2cc(C)[nH]c2=C1
InChIInChI=1S/C13H17N/c1-3-5-11-6-4-7-12-8-10(2)14-13(12)9-11/h4,6-9,11,14H,3,5H2,1-2H3
InChIKeyNQSMCKNEFDRKGM-UHFFFAOYSA-N
MW187.29 g/mol
LogP1.87
Rot. Bonds2

About 2-methyl-7-propyl-1,7-dihydrocyclohepta[b]pyrrole

2-methyl-7-propyl-1,7-dihydrocyclohepta[b]pyrrole (PubChem CID 123601273) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-methyl-7-propyl-1,7-dihydrocyclohepta[b]pyrrole.

Molecular Properties

Compound Name2-methyl-7-propyl-1,7-dihydrocyclohepta[b]pyrrole
PubChem CID123601273
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name2-methyl-7-propyl-1,7-dihydrocyclohepta[b]pyrrole
SMILESCCCC1C=CC=c2cc(C)[nH]c2=C1
InChIInChI=1S/C13H17N/c1-3-5-11-6-4-7-12-8-10(2)14-13(12)9-11/h4,6-9,11,14H,3,5H2,1-2H3
InChIKeyNQSMCKNEFDRKGM-UHFFFAOYSA-N
XLogP1.87
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-propyl-1,7-dihydrocyclohepta[b]pyrrole?
The IUPAC name of 2-methyl-7-propyl-1,7-dihydrocyclohepta[b]pyrrole (CID 123601273) is 2-methyl-7-propyl-1,7-dihydrocyclohepta[b]pyrrole.
What is the SMILES notation for 2-methyl-7-propyl-1,7-dihydrocyclohepta[b]pyrrole?
The canonical SMILES for 2-methyl-7-propyl-1,7-dihydrocyclohepta[b]pyrrole is CCCC1C=CC=c2cc(C)[nH]c2=C1.
What is the InChIKey of 2-methyl-7-propyl-1,7-dihydrocyclohepta[b]pyrrole?
The InChIKey is NQSMCKNEFDRKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-3-5-11-6-4-7-12-8-10(2)14-13(12)9-11/h4,6-9,11,14H,3,5H2,1-2H3.
What are the key properties of 2-methyl-7-propyl-1,7-dihydrocyclohepta[b]pyrrole?
2-methyl-7-propyl-1,7-dihydrocyclohepta[b]pyrrole has a molecular weight of 187.29 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-propyl-1,7-dihydrocyclohepta[b]pyrrole is sourced from PubChem (CID 123601273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).