6-methyl-8-propan-2-yl-1,6-dihydrocyclohepta[b]pyrrole

C13H17N — CID 142558193

IUPAC6-methyl-8-propan-2-yl-1,6-dihydrocyclohepta[b]pyrrole
SMILESCC1C=Cc2cc[nH]c2C(C(C)C)=C1
InChIInChI=1S/C13H17N/c1-9(2)12-8-10(3)4-5-11-6-7-14-13(11)12/h4-10,14H,1-3H3
InChIKeyATCQPDITZKUKQV-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.72
Rot. Bonds1

About 6-methyl-8-propan-2-yl-1,6-dihydrocyclohepta[b]pyrrole

6-methyl-8-propan-2-yl-1,6-dihydrocyclohepta[b]pyrrole (PubChem CID 142558193) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 6-methyl-8-propan-2-yl-1,6-dihydrocyclohepta[b]pyrrole.

Molecular Properties

Compound Name6-methyl-8-propan-2-yl-1,6-dihydrocyclohepta[b]pyrrole
PubChem CID142558193
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name6-methyl-8-propan-2-yl-1,6-dihydrocyclohepta[b]pyrrole
SMILESCC1C=Cc2cc[nH]c2C(C(C)C)=C1
InChIInChI=1S/C13H17N/c1-9(2)12-8-10(3)4-5-11-6-7-14-13(11)12/h4-10,14H,1-3H3
InChIKeyATCQPDITZKUKQV-UHFFFAOYSA-N
XLogP3.72
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 18714791
2-methyl-5-(2-methylpropyl)cyclopenta-1,3-diene;zirconium
CID 174493510
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CID 144902397
3-chloro-2-propan-2-yl-1H-pyrrole
CID 58030003
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Frequently Asked Questions

What is the IUPAC name of 6-methyl-8-propan-2-yl-1,6-dihydrocyclohepta[b]pyrrole?
The IUPAC name of 6-methyl-8-propan-2-yl-1,6-dihydrocyclohepta[b]pyrrole (CID 142558193) is 6-methyl-8-propan-2-yl-1,6-dihydrocyclohepta[b]pyrrole.
What is the SMILES notation for 6-methyl-8-propan-2-yl-1,6-dihydrocyclohepta[b]pyrrole?
The canonical SMILES for 6-methyl-8-propan-2-yl-1,6-dihydrocyclohepta[b]pyrrole is CC1C=Cc2cc[nH]c2C(C(C)C)=C1.
What is the InChIKey of 6-methyl-8-propan-2-yl-1,6-dihydrocyclohepta[b]pyrrole?
The InChIKey is ATCQPDITZKUKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-9(2)12-8-10(3)4-5-11-6-7-14-13(11)12/h4-10,14H,1-3H3.
What are the key properties of 6-methyl-8-propan-2-yl-1,6-dihydrocyclohepta[b]pyrrole?
6-methyl-8-propan-2-yl-1,6-dihydrocyclohepta[b]pyrrole has a molecular weight of 187.29 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8-propan-2-yl-1,6-dihydrocyclohepta[b]pyrrole is sourced from PubChem (CID 142558193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).