(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)urea

C13H14ClN3O — CID 2883009

IUPAC(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)urea
SMILESNC(=O)NC1CCCc2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C13H14ClN3O/c14-7-4-5-10-9(6-7)8-2-1-3-11(12(8)16-10)17-13(15)18/h4-6,11,16H,1-3H2,(H3,15,17,18)
InChIKeyUJQIICYQJSLJPC-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.87
Rot. Bonds1

About (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)urea

(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)urea (PubChem CID 2883009) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)urea.

Molecular Properties

Compound Name(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)urea
PubChem CID2883009
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)urea
SMILESNC(=O)NC1CCCc2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C13H14ClN3O/c14-7-4-5-10-9(6-7)8-2-1-3-11(12(8)16-10)17-13(15)18/h4-6,11,16H,1-3H2,(H3,15,17,18)
InChIKeyUJQIICYQJSLJPC-UHFFFAOYSA-N
XLogP2.87
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)urea?
The IUPAC name of (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)urea (CID 2883009) is (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)urea.
What is the SMILES notation for (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)urea?
The canonical SMILES for (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)urea is NC(=O)NC1CCCc2c1[nH]c1ccc(Cl)cc21.
What is the InChIKey of (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)urea?
The InChIKey is UJQIICYQJSLJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-7-4-5-10-9(6-7)8-2-1-3-11(12(8)16-10)17-13(15)18/h4-6,11,16H,1-3H2,(H3,15,17,18).
What are the key properties of (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)urea?
(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)urea has a molecular weight of 263.73 g/mol, XLogP of 2.87, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)urea is sourced from PubChem (CID 2883009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).