1-[(3S)-3,5-dimethyl-11H-pyrano[3,2-a]carbazol-3-yl]-4-methylpentan-3-one

C23H25NO2 — CID 177418791

IUPAC1-[(3S)-3,5-dimethyl-11H-pyrano[3,2-a]carbazol-3-yl]-4-methylpentan-3-one
SMILESCc1cc2c([nH]c3ccccc32)c2c1O[C@@](C)(CCC(=O)C(C)C)C=C2
InChIInChI=1S/C23H25NO2/c1-14(2)20(25)10-12-23(4)11-9-17-21-18(13-15(3)22(17)26-23)16-7-5-6-8-19(16)24-21/h5-9,11,13-14,24H,10,12H2,1-4H3/t23-/m1/s1
InChIKeyJHPOTSBFRZZIKM-HSZRJFAPSA-N
MW347.46 g/mol
LogP5.80
Rot. Bonds4

About 1-[(3S)-3,5-dimethyl-11H-pyrano[3,2-a]carbazol-3-yl]-4-methylpentan-3-one

1-[(3S)-3,5-dimethyl-11H-pyrano[3,2-a]carbazol-3-yl]-4-methylpentan-3-one (PubChem CID 177418791) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[(3S)-3,5-dimethyl-11H-pyrano[3,2-a]carbazol-3-yl]-4-methylpentan-3-one.

Molecular Properties

Compound Name1-[(3S)-3,5-dimethyl-11H-pyrano[3,2-a]carbazol-3-yl]-4-methylpentan-3-one
PubChem CID177418791
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name1-[(3S)-3,5-dimethyl-11H-pyrano[3,2-a]carbazol-3-yl]-4-methylpentan-3-one
SMILESCc1cc2c([nH]c3ccccc32)c2c1O[C@@](C)(CCC(=O)C(C)C)C=C2
InChIInChI=1S/C23H25NO2/c1-14(2)20(25)10-12-23(4)11-9-17-21-18(13-15(3)22(17)26-23)16-7-5-6-8-19(16)24-21/h5-9,11,13-14,24H,10,12H2,1-4H3/t23-/m1/s1
InChIKeyJHPOTSBFRZZIKM-HSZRJFAPSA-N
XLogP5.80
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3S)-3,5-dimethyl-11H-pyrano[3,2-a]carbazol-3-yl]-4-methylpentan-3-one with MolForge

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Related Compounds

1-(1H-indol-3-yl)-4-methylpentan-3-one
CID 154964513
2,2,5-trimethyl-4,11-dihydro-3H-pyrano[2,3-a]carbazole
CID 71327618
5-methyl-11H-benzo[a]carbazole
CID 6454977
(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
6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
CID 5479541
3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
CID 162837479
1-methyl-9H-carbazole-3-carbonyl chloride
CID 151683176
3-methyl-2,9-dihydropyrido[3,4-b]indol-1-one
CID 12529019
2-(1-methyl-9H-carbazol-2-yl)acetic acid
CID 54249777
1,2-dimethoxy-3-methyl-9H-carbazole
CID 121392171
5-(9H-carbazol-1-yl)pentane-2,3-dione
CID 142696076
4,11-bis[(3E)-4,8-dimethylnona-3,7-dienyl]-4,11-dimethyl-3,12-dioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),5,8(13),9,14,16-heptaene
CID 162664301

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3,5-dimethyl-11H-pyrano[3,2-a]carbazol-3-yl]-4-methylpentan-3-one?
The IUPAC name of 1-[(3S)-3,5-dimethyl-11H-pyrano[3,2-a]carbazol-3-yl]-4-methylpentan-3-one (CID 177418791) is 1-[(3S)-3,5-dimethyl-11H-pyrano[3,2-a]carbazol-3-yl]-4-methylpentan-3-one.
What is the SMILES notation for 1-[(3S)-3,5-dimethyl-11H-pyrano[3,2-a]carbazol-3-yl]-4-methylpentan-3-one?
The canonical SMILES for 1-[(3S)-3,5-dimethyl-11H-pyrano[3,2-a]carbazol-3-yl]-4-methylpentan-3-one is Cc1cc2c([nH]c3ccccc32)c2c1O[C@@](C)(CCC(=O)C(C)C)C=C2.
What is the InChIKey of 1-[(3S)-3,5-dimethyl-11H-pyrano[3,2-a]carbazol-3-yl]-4-methylpentan-3-one?
The InChIKey is JHPOTSBFRZZIKM-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H25NO2/c1-14(2)20(25)10-12-23(4)11-9-17-21-18(13-15(3)22(17)26-23)16-7-5-6-8-19(16)24-21/h5-9,11,13-14,24H,10,12H2,1-4H3/t23-/m1/s1.
What are the key properties of 1-[(3S)-3,5-dimethyl-11H-pyrano[3,2-a]carbazol-3-yl]-4-methylpentan-3-one?
1-[(3S)-3,5-dimethyl-11H-pyrano[3,2-a]carbazol-3-yl]-4-methylpentan-3-one has a molecular weight of 347.46 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3,5-dimethyl-11H-pyrano[3,2-a]carbazol-3-yl]-4-methylpentan-3-one is sourced from PubChem (CID 177418791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).