4,9-dimethyl-7,8-dihydro-1H-cycloocta[b]pyrrole

C12H15N — CID 123416584

IUPAC4,9-dimethyl-7,8-dihydro-1H-cycloocta[b]pyrrole
SMILESCC1=c2cc[nH]c2=C(C)CCC=C1
InChIInChI=1S/C12H15N/c1-9-5-3-4-6-10(2)12-11(9)7-8-13-12/h3,5,7-8,13H,4,6H2,1-2H3
InChIKeyHRLDEXFBKVCMRC-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.71
Rot. Bonds

About 4,9-dimethyl-7,8-dihydro-1H-cycloocta[b]pyrrole

4,9-dimethyl-7,8-dihydro-1H-cycloocta[b]pyrrole (PubChem CID 123416584) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 4,9-dimethyl-7,8-dihydro-1H-cycloocta[b]pyrrole.

Molecular Properties

Compound Name4,9-dimethyl-7,8-dihydro-1H-cycloocta[b]pyrrole
PubChem CID123416584
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name4,9-dimethyl-7,8-dihydro-1H-cycloocta[b]pyrrole
SMILESCC1=c2cc[nH]c2=C(C)CCC=C1
InChIInChI=1S/C12H15N/c1-9-5-3-4-6-10(2)12-11(9)7-8-13-12/h3,5,7-8,13H,4,6H2,1-2H3
InChIKeyHRLDEXFBKVCMRC-UHFFFAOYSA-N
XLogP1.71
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 145344243
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CID 14111350
N-(2-methylcyclohexa-1,5-dien-1-yl)propan-2-imine
CID 170111088
5-methyl-8H-benzo[7]annulene
CID 142246381
2-ethoxy-1-methylcyclohexa-1,3-diene
CID 19805352
4-(3-methyl-4,5-dihydrooxepin-2-yl)benzenethiol
CID 123624961
1,4-dimethyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene
CID 144508719
7-ethyl-5,6-dihydro-1H-indol-4-amine
CID 129236666
1-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzene
CID 145174438
2-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 121446234
2-isocyanato-1-methylcyclohexa-1,3-diene
CID 163462349

Frequently Asked Questions

What is the IUPAC name of 4,9-dimethyl-7,8-dihydro-1H-cycloocta[b]pyrrole?
The IUPAC name of 4,9-dimethyl-7,8-dihydro-1H-cycloocta[b]pyrrole (CID 123416584) is 4,9-dimethyl-7,8-dihydro-1H-cycloocta[b]pyrrole.
What is the SMILES notation for 4,9-dimethyl-7,8-dihydro-1H-cycloocta[b]pyrrole?
The canonical SMILES for 4,9-dimethyl-7,8-dihydro-1H-cycloocta[b]pyrrole is CC1=c2cc[nH]c2=C(C)CCC=C1.
What is the InChIKey of 4,9-dimethyl-7,8-dihydro-1H-cycloocta[b]pyrrole?
The InChIKey is HRLDEXFBKVCMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-9-5-3-4-6-10(2)12-11(9)7-8-13-12/h3,5,7-8,13H,4,6H2,1-2H3.
What are the key properties of 4,9-dimethyl-7,8-dihydro-1H-cycloocta[b]pyrrole?
4,9-dimethyl-7,8-dihydro-1H-cycloocta[b]pyrrole has a molecular weight of 173.26 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dimethyl-7,8-dihydro-1H-cycloocta[b]pyrrole is sourced from PubChem (CID 123416584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).