9-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,2,3,4-tetrahydrocarbazole

C23H25NO — CID 102361610

IUPAC9-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,2,3,4-tetrahydrocarbazole
SMILESC=CCC1CCCc2c1n(Cc1ccc(OC)cc1)c1ccccc21
InChIInChI=1S/C23H25NO/c1-3-7-18-8-6-10-21-20-9-4-5-11-22(20)24(23(18)21)16-17-12-14-19(25-2)15-13-17/h3-5,9,11-15,18H,1,6-8,10,16H2,2H3
InChIKeyMKKSMYAHAFAHPD-UHFFFAOYSA-N
MW331.46 g/mol
LogP5.69
Rot. Bonds5

About 9-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,2,3,4-tetrahydrocarbazole

9-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,2,3,4-tetrahydrocarbazole (PubChem CID 102361610) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is 9-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,2,3,4-tetrahydrocarbazole.

Molecular Properties

Compound Name9-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,2,3,4-tetrahydrocarbazole
PubChem CID102361610
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name9-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,2,3,4-tetrahydrocarbazole
SMILESC=CCC1CCCc2c1n(Cc1ccc(OC)cc1)c1ccccc21
InChIInChI=1S/C23H25NO/c1-3-7-18-8-6-10-21-20-9-4-5-11-22(20)24(23(18)21)16-17-12-14-19(25-2)15-13-17/h3-5,9,11-15,18H,1,6-8,10,16H2,2H3
InChIKeyMKKSMYAHAFAHPD-UHFFFAOYSA-N
XLogP5.69
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,4-bis(prop-2-enyl)-2,3-dihydro-1H-cyclopenta[b]indole
CID 132510291
2-[(1R)-9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
CID 11674685
9-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-carbazol-4-one
CID 10017977
(9-benzyl-1,2,3,4-tetrahydrocarbazol-1-yl) acetate
CID 67866847
9-(methoxymethyl)-1-prop-2-enyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 14845123
5,5-bis(ethenyl)-8-[(4-methoxyphenyl)methyl]-3-prop-2-enyl-1,2,6,7-tetrahydroazonino[5,4-b]indol-4-one
CID 134963062
2-[(4-methoxyphenyl)methyl]-10-methyl-4-prop-2-enyl-3,4-dihydroazepino[3,4-b]indole-1,5-dione
CID 101356806
2-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 123890436
1-[(4-methoxyphenyl)methyl]-5-prop-2-enylpyrrolidin-2-one
CID 102168019
2-(3,6-dibenzyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-5-yl)acetaldehyde
CID 91136598
12-[[4-[(E)-prop-1-enyl]phenyl]methyl]-1,2,3,6,7,12b-hexahydroindolo[2,3-a]quinolizin-4-one
CID 166835311
2-[9-[(4-chlorophenyl)methyl]-6-methoxy-8-methyl-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
CID 14372507

Frequently Asked Questions

What is the IUPAC name of 9-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,2,3,4-tetrahydrocarbazole?
The IUPAC name of 9-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,2,3,4-tetrahydrocarbazole (CID 102361610) is 9-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,2,3,4-tetrahydrocarbazole.
What is the SMILES notation for 9-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,2,3,4-tetrahydrocarbazole?
The canonical SMILES for 9-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,2,3,4-tetrahydrocarbazole is C=CCC1CCCc2c1n(Cc1ccc(OC)cc1)c1ccccc21.
What is the InChIKey of 9-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,2,3,4-tetrahydrocarbazole?
The InChIKey is MKKSMYAHAFAHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO/c1-3-7-18-8-6-10-21-20-9-4-5-11-22(20)24(23(18)21)16-17-12-14-19(25-2)15-13-17/h3-5,9,11-15,18H,1,6-8,10,16H2,2H3.
What are the key properties of 9-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,2,3,4-tetrahydrocarbazole?
9-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,2,3,4-tetrahydrocarbazole has a molecular weight of 331.46 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,2,3,4-tetrahydrocarbazole is sourced from PubChem (CID 102361610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).