(3R)-10-methoxy-3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-8-carbaldehyde

C24H25NO3 — CID 163192949

IUPAC(3R)-10-methoxy-3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-8-carbaldehyde
SMILESCOc1cc(C=O)cc2c1[nH]c1c3c(ccc12)O[C@](C)(CCC=C(C)C)C=C3
InChIInChI=1S/C24H25NO3/c1-15(2)6-5-10-24(3)11-9-18-20(28-24)8-7-17-19-12-16(14-26)13-21(27-4)23(19)25-22(17)18/h6-9,11-14,25H,5,10H2,1-4H3/t24-/m1/s1
InChIKeyHZRYDTODSVSHIA-XMMPIXPASA-N
MW375.47 g/mol
LogP6.05
Rot. Bonds5

About (3R)-10-methoxy-3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-8-carbaldehyde

(3R)-10-methoxy-3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-8-carbaldehyde (PubChem CID 163192949) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is (3R)-10-methoxy-3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-8-carbaldehyde.

Molecular Properties

Compound Name(3R)-10-methoxy-3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-8-carbaldehyde
PubChem CID163192949
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name(3R)-10-methoxy-3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-8-carbaldehyde
SMILESCOc1cc(C=O)cc2c1[nH]c1c3c(ccc12)O[C@](C)(CCC=C(C)C)C=C3
InChIInChI=1S/C24H25NO3/c1-15(2)6-5-10-24(3)11-9-18-20(28-24)8-7-17-19-12-16(14-26)13-21(27-4)23(19)25-22(17)18/h6-9,11-14,25H,5,10H2,1-4H3/t24-/m1/s1
InChIKeyHZRYDTODSVSHIA-XMMPIXPASA-N
XLogP6.05
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5,7-dimethoxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]ethanone
CID 126659202
1-[7-hydroxy-5-methoxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]-3-phenylprop-2-en-1-one
CID 5256732
4-hydroxy-3-[(E)-3-[5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]-3-oxoprop-1-enyl]benzaldehyde
CID 71545493
(2R)-2-methyl-2-(4-methylpent-3-enyl)chromene
CID 177454161
2-[[(3R)-3,8-dimethyl-3-(4-methylpent-3-enyl)benzo[f]chromen-9-yl]oxymethoxy]ethyl-trimethylsilane
CID 102124419
(2R)-8-[(3E)-4,8-dimethylnona-3,7-dienyl]-5-methoxy-8-methyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one
CID 155537241
(3R)-3-methyl-3-(4-methylpent-3-enyl)-9-(oxan-2-yloxy)benzo[f]chromene
CID 102124396
3-methoxy-6-[(3R,8R)-8-methyl-8-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]benzene-1,2-diol
CID 162912952
7-butyl-2-methyl-2-(4-methylpent-3-enyl)chromen-5-ol
CID 154673208
[3-[9-(methoxymethoxy)-3-methyl-3-(4-methylpent-3-enyl)benzo[f]chromen-8-yl]-1,4-dioxonaphthalen-2-yl] trifluoromethanesulfonate
CID 10675649
1-[(2S)-5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]-3-phenylprop-2-en-1-one
CID 163042098
7-hex-5-ynyl-2-methyl-2-(4-methylpent-3-enyl)chromen-5-ol
CID 163298668

Frequently Asked Questions

What is the IUPAC name of (3R)-10-methoxy-3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-8-carbaldehyde?
The IUPAC name of (3R)-10-methoxy-3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-8-carbaldehyde (CID 163192949) is (3R)-10-methoxy-3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-8-carbaldehyde.
What is the SMILES notation for (3R)-10-methoxy-3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-8-carbaldehyde?
The canonical SMILES for (3R)-10-methoxy-3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-8-carbaldehyde is COc1cc(C=O)cc2c1[nH]c1c3c(ccc12)O[C@](C)(CCC=C(C)C)C=C3.
What is the InChIKey of (3R)-10-methoxy-3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-8-carbaldehyde?
The InChIKey is HZRYDTODSVSHIA-XMMPIXPASA-N. The full InChI is InChI=1S/C24H25NO3/c1-15(2)6-5-10-24(3)11-9-18-20(28-24)8-7-17-19-12-16(14-26)13-21(27-4)23(19)25-22(17)18/h6-9,11-14,25H,5,10H2,1-4H3/t24-/m1/s1.
What are the key properties of (3R)-10-methoxy-3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-8-carbaldehyde?
(3R)-10-methoxy-3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-8-carbaldehyde has a molecular weight of 375.47 g/mol, XLogP of 6.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-10-methoxy-3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-8-carbaldehyde is sourced from PubChem (CID 163192949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).