2-bromo-3,3-dimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole-5-carbaldehyde

C18H16BrNO2 — CID 54768504

IUPAC2-bromo-3,3-dimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole-5-carbaldehyde
SMILESCC1(C)Oc2c(C=O)cc3c([nH]c4ccccc43)c2CC1Br
InChIInChI=1S/C18H16BrNO2/c1-18(2)15(19)8-13-16-12(7-10(9-21)17(13)22-18)11-5-3-4-6-14(11)20-16/h3-7,9,15,20H,8H2,1-2H3
InChIKeyGWOJXOIWQKOVEE-UHFFFAOYSA-N
MW358.24 g/mol
LogP4.61
Rot. Bonds1

About 2-bromo-3,3-dimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole-5-carbaldehyde

2-bromo-3,3-dimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole-5-carbaldehyde (PubChem CID 54768504) has the molecular formula C18H16BrNO2 and a molecular weight of 358.24 g/mol. Its IUPAC name is 2-bromo-3,3-dimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole-5-carbaldehyde.

Molecular Properties

Compound Name2-bromo-3,3-dimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole-5-carbaldehyde
PubChem CID54768504
Molecular FormulaC18H16BrNO2
Molecular Weight358.24 g/mol
Exact Mass357.04
IUPAC Name2-bromo-3,3-dimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole-5-carbaldehyde
SMILESCC1(C)Oc2c(C=O)cc3c([nH]c4ccccc43)c2CC1Br
InChIInChI=1S/C18H16BrNO2/c1-18(2)15(19)8-13-16-12(7-10(9-21)17(13)22-18)11-5-3-4-6-14(11)20-16/h3-7,9,15,20H,8H2,1-2H3
InChIKeyGWOJXOIWQKOVEE-UHFFFAOYSA-N
XLogP4.61
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9H-carbazole-1-carbaldehyde
CID 11745551
2,2,5-trimethyl-4,11-dihydro-3H-pyrano[2,3-a]carbazole
CID 71327618
5-bromo-4,4,10,10-tetramethyl-3,9-dioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),8(13),11,14,16-hexaene
CID 91144984
3-methyl-9H-pyrido[3,4-b]indole-1-carbaldehyde
CID 82394891
(16R,19S,21R)-12,15,15,19-tetramethyl-14-oxa-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11-hexaen-19-ol
CID 15286150
5-methyl-11H-benzo[a]carbazole
CID 6454977
1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbaldehyde
CID 174709494
1-[1-(3-formyl-9H-carbazol-1-yl)ethyl]-9H-carbazole-3-carbaldehyde
CID 23282236
1-(2,3-dihydroxy-3-methylbutyl)-2-hydroxy-9H-carbazole-3-carbaldehyde
CID 162946327
2-(1-methylcyclopropyl)benzaldehyde
CID 118117463
1-propyl-9H-carbazole-3-carbaldehyde
CID 174900118
bromomethane;9H-carbazole
CID 67594562

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,3-dimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole-5-carbaldehyde?
The IUPAC name of 2-bromo-3,3-dimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole-5-carbaldehyde (CID 54768504) is 2-bromo-3,3-dimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole-5-carbaldehyde.
What is the SMILES notation for 2-bromo-3,3-dimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole-5-carbaldehyde?
The canonical SMILES for 2-bromo-3,3-dimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole-5-carbaldehyde is CC1(C)Oc2c(C=O)cc3c([nH]c4ccccc43)c2CC1Br.
What is the InChIKey of 2-bromo-3,3-dimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole-5-carbaldehyde?
The InChIKey is GWOJXOIWQKOVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO2/c1-18(2)15(19)8-13-16-12(7-10(9-21)17(13)22-18)11-5-3-4-6-14(11)20-16/h3-7,9,15,20H,8H2,1-2H3.
What are the key properties of 2-bromo-3,3-dimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole-5-carbaldehyde?
2-bromo-3,3-dimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole-5-carbaldehyde has a molecular weight of 358.24 g/mol, XLogP of 4.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,3-dimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole-5-carbaldehyde is sourced from PubChem (CID 54768504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).