1-methyl-3-(2-methylpropyl)-2,3-dihydrocyclohepta[b]pyrrole

C14H19N — CID 167175556

IUPAC1-methyl-3-(2-methylpropyl)-2,3-dihydrocyclohepta[b]pyrrole
SMILESCC(C)CC1CN(C)C2=C1C=C=CC=C2
InChIInChI=1S/C14H19N/c1-11(2)9-12-10-15(3)14-8-6-4-5-7-13(12)14/h4,6-8,11-12H,9-10H2,1-3H3
InChIKeyLEERVDMSDGGZRP-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.13
Rot. Bonds2

About 1-methyl-3-(2-methylpropyl)-2,3-dihydrocyclohepta[b]pyrrole

1-methyl-3-(2-methylpropyl)-2,3-dihydrocyclohepta[b]pyrrole (PubChem CID 167175556) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-methyl-3-(2-methylpropyl)-2,3-dihydrocyclohepta[b]pyrrole.

Molecular Properties

Compound Name1-methyl-3-(2-methylpropyl)-2,3-dihydrocyclohepta[b]pyrrole
PubChem CID167175556
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name1-methyl-3-(2-methylpropyl)-2,3-dihydrocyclohepta[b]pyrrole
SMILESCC(C)CC1CN(C)C2=C1C=C=CC=C2
InChIInChI=1S/C14H19N/c1-11(2)9-12-10-15(3)14-8-6-4-5-7-13(12)14/h4,6-8,11-12H,9-10H2,1-3H3
InChIKeyLEERVDMSDGGZRP-UHFFFAOYSA-N
XLogP3.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylpropyl)-2,3-dihydrocyclohepta[b]pyrrole?
The IUPAC name of 1-methyl-3-(2-methylpropyl)-2,3-dihydrocyclohepta[b]pyrrole (CID 167175556) is 1-methyl-3-(2-methylpropyl)-2,3-dihydrocyclohepta[b]pyrrole.
What is the SMILES notation for 1-methyl-3-(2-methylpropyl)-2,3-dihydrocyclohepta[b]pyrrole?
The canonical SMILES for 1-methyl-3-(2-methylpropyl)-2,3-dihydrocyclohepta[b]pyrrole is CC(C)CC1CN(C)C2=C1C=C=CC=C2.
What is the InChIKey of 1-methyl-3-(2-methylpropyl)-2,3-dihydrocyclohepta[b]pyrrole?
The InChIKey is LEERVDMSDGGZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-11(2)9-12-10-15(3)14-8-6-4-5-7-13(12)14/h4,6-8,11-12H,9-10H2,1-3H3.
What are the key properties of 1-methyl-3-(2-methylpropyl)-2,3-dihydrocyclohepta[b]pyrrole?
1-methyl-3-(2-methylpropyl)-2,3-dihydrocyclohepta[b]pyrrole has a molecular weight of 201.31 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylpropyl)-2,3-dihydrocyclohepta[b]pyrrole is sourced from PubChem (CID 167175556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).