1-[5-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]pyrrolidine

C17H21N — CID 173147482

IUPAC1-[5-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]pyrrolidine
SMILESCc1ccc(C2=CC(N3CCCC3)=CCC2)cc1
InChIInChI=1S/C17H21N/c1-14-7-9-15(10-8-14)16-5-4-6-17(13-16)18-11-2-3-12-18/h6-10,13H,2-5,11-12H2,1H3
InChIKeyCGGXDGFRDNSVMX-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.15
Rot. Bonds2

About 1-[5-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]pyrrolidine

1-[5-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]pyrrolidine (PubChem CID 173147482) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[5-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]pyrrolidine.

Molecular Properties

Compound Name1-[5-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]pyrrolidine
PubChem CID173147482
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name1-[5-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]pyrrolidine
SMILESCc1ccc(C2=CC(N3CCCC3)=CCC2)cc1
InChIInChI=1S/C17H21N/c1-14-7-9-15(10-8-14)16-5-4-6-17(13-16)18-11-2-3-12-18/h6-10,13H,2-5,11-12H2,1H3
InChIKeyCGGXDGFRDNSVMX-UHFFFAOYSA-N
XLogP4.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[5-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]azetidine
CID 173147188
3-(3-piperidin-1-ylcyclohexa-1,3-dien-1-yl)pyridine
CID 22758233
1-(5-bromocyclohexa-1,5-dien-1-yl)piperidine
CID 173233336
butane;1-(cyclobuten-1-yl)-4-methylbenzene;ethane
CID 145163186
CID 161488544
CID 161488544
1,3-bis(4-methylphenyl)-1,3-diazinane
CID 22020050
1-(cyclobuten-1-yl)-4-methyl-2-(trifluoromethyl)benzene
CID 159168162
9-(4-methylphenyl)sulfonyl-2,3,4,6,7,8-hexahydro-1H-quinolizine
CID 11150480
ethane;1-(4-methylphenyl)pyrrolidine;prop-1-ene
CID 145031830
1-methyl-4-(4-methylphenyl)-1,4-diazocane
CID 143370715
1-(4-methylphenyl)azepan-3-amine
CID 84672656
ethane;1-methyl-4-(4-methylphenyl)piperazine;1-(4-methylphenyl)piperidine
CID 143579449

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]pyrrolidine?
The IUPAC name of 1-[5-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]pyrrolidine (CID 173147482) is 1-[5-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]pyrrolidine.
What is the SMILES notation for 1-[5-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]pyrrolidine?
The canonical SMILES for 1-[5-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]pyrrolidine is Cc1ccc(C2=CC(N3CCCC3)=CCC2)cc1.
What is the InChIKey of 1-[5-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]pyrrolidine?
The InChIKey is CGGXDGFRDNSVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-14-7-9-15(10-8-14)16-5-4-6-17(13-16)18-11-2-3-12-18/h6-10,13H,2-5,11-12H2,1H3.
What are the key properties of 1-[5-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]pyrrolidine?
1-[5-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]pyrrolidine has a molecular weight of 239.36 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]pyrrolidine is sourced from PubChem (CID 173147482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).