[(1S)-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-yl]urea

C15H19N3O — CID 878821

IUPAC[(1S)-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-yl]urea
SMILESCc1ccc2c(c1)c1c(n2C)[C@@H](NC(N)=O)CCC1
InChIInChI=1S/C15H19N3O/c1-9-6-7-13-11(8-9)10-4-3-5-12(17-15(16)19)14(10)18(13)2/h6-8,12H,3-5H2,1-2H3,(H3,16,17,19)/t12-/m0/s1
InChIKeySXLLTOFPNLDLTG-LBPRGKRZSA-N
MW257.34 g/mol
LogP2.53
Rot. Bonds1

About [(1S)-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-yl]urea

[(1S)-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-yl]urea (PubChem CID 878821) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is [(1S)-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-yl]urea.

Molecular Properties

Compound Name[(1S)-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-yl]urea
PubChem CID878821
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name[(1S)-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-yl]urea
SMILESCc1ccc2c(c1)c1c(n2C)[C@@H](NC(N)=O)CCC1
InChIInChI=1S/C15H19N3O/c1-9-6-7-13-11(8-9)10-4-3-5-12(17-15(16)19)14(10)18(13)2/h6-8,12H,3-5H2,1-2H3,(H3,16,17,19)/t12-/m0/s1
InChIKeySXLLTOFPNLDLTG-LBPRGKRZSA-N
XLogP2.53
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

ethyl 6,9-dimethyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
CID 84612098
(5S)-12-methyl-4-nitroso-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene
CID 7059919
12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene-4-carbothioic S-acid
CID 87629077
1-[(5R)-12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl]propan-2-one
CID 873090
2-chloro-1-[(5S)-12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl]ethanone
CID 712165
2,2,3,3-tetradeuterio-12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene
CID 76974203
6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-amine
CID 84740019
(5R)-12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene
CID 827442
(5S)-12-methyl-4-propyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene
CID 1040358
9-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 84613100
N-cyclohexyl-2-(2,5-dimethylphenyl)-10-methyl-3-oxo-4,5-dihydro-1H-azepino[3,4-b]indole-1-carboxamide
CID 118712993
[(5S)-12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl]methanesulfonic acid
CID 2246139

Frequently Asked Questions

What is the IUPAC name of [(1S)-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-yl]urea?
The IUPAC name of [(1S)-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-yl]urea (CID 878821) is [(1S)-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-yl]urea.
What is the SMILES notation for [(1S)-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-yl]urea?
The canonical SMILES for [(1S)-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-yl]urea is Cc1ccc2c(c1)c1c(n2C)[C@@H](NC(N)=O)CCC1.
What is the InChIKey of [(1S)-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-yl]urea?
The InChIKey is SXLLTOFPNLDLTG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O/c1-9-6-7-13-11(8-9)10-4-3-5-12(17-15(16)19)14(10)18(13)2/h6-8,12H,3-5H2,1-2H3,(H3,16,17,19)/t12-/m0/s1.
What are the key properties of [(1S)-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-yl]urea?
[(1S)-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-yl]urea has a molecular weight of 257.34 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-yl]urea is sourced from PubChem (CID 878821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).