1-[(2R)-2-hydroxypropyl]-3-(1H-indol-3-yl)urea

C12H15N3O2 — CID 7615942

IUPAC1-[(2R)-2-hydroxypropyl]-3-(1H-indol-3-yl)urea
SMILESC[C@@H](O)CNC(=O)Nc1c[nH]c2ccccc12
InChIInChI=1S/C12H15N3O2/c1-8(16)6-14-12(17)15-11-7-13-10-5-3-2-4-9(10)11/h2-5,7-8,13,16H,6H2,1H3,(H2,14,15,17)/t8-/m1/s1
InChIKeyGLLBJNWAHCXGIG-MRVPVSSYSA-N
MW233.27 g/mol
LogP1.67
Rot. Bonds3

About 1-[(2R)-2-hydroxypropyl]-3-(1H-indol-3-yl)urea

1-[(2R)-2-hydroxypropyl]-3-(1H-indol-3-yl)urea (PubChem CID 7615942) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxypropyl]-3-(1H-indol-3-yl)urea.

Molecular Properties

Compound Name1-[(2R)-2-hydroxypropyl]-3-(1H-indol-3-yl)urea
PubChem CID7615942
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-[(2R)-2-hydroxypropyl]-3-(1H-indol-3-yl)urea
SMILESC[C@@H](O)CNC(=O)Nc1c[nH]c2ccccc12
InChIInChI=1S/C12H15N3O2/c1-8(16)6-14-12(17)15-11-7-13-10-5-3-2-4-9(10)11/h2-5,7-8,13,16H,6H2,1H3,(H2,14,15,17)/t8-/m1/s1
InChIKeyGLLBJNWAHCXGIG-MRVPVSSYSA-N
XLogP1.67
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-(1H-indol-3-yl)urea
CID 7615926
1-benzyl-3-(1H-indol-3-yl)urea
CID 7615984
1-[(2R)-butan-2-yl]-3-(1H-indol-3-yl)urea
CID 7615931
1-(2-hydroxypropyl)-3-naphthalen-1-ylurea
CID 17468556
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120
1-[3-(diethylamino)propyl]-3-(1H-indol-3-yl)urea
CID 7615961
1H-indol-3-ylcarbamic acid
CID 66672709
1-(2-bromophenyl)-3-(2-hydroxypropyl)urea
CID 117235730
1-(1H-indol-3-yl)-3-(pyridin-3-ylmethyl)urea
CID 18582261
N-(1H-indol-3-yl)butanamide;dihydrochloride
CID 142898662
1-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)urea
CID 7616071
1-(1H-indol-3-yl)-3-(2-morpholin-4-ylethyl)urea
CID 7615967

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxypropyl]-3-(1H-indol-3-yl)urea?
The IUPAC name of 1-[(2R)-2-hydroxypropyl]-3-(1H-indol-3-yl)urea (CID 7615942) is 1-[(2R)-2-hydroxypropyl]-3-(1H-indol-3-yl)urea.
What is the SMILES notation for 1-[(2R)-2-hydroxypropyl]-3-(1H-indol-3-yl)urea?
The canonical SMILES for 1-[(2R)-2-hydroxypropyl]-3-(1H-indol-3-yl)urea is C[C@@H](O)CNC(=O)Nc1c[nH]c2ccccc12.
What is the InChIKey of 1-[(2R)-2-hydroxypropyl]-3-(1H-indol-3-yl)urea?
The InChIKey is GLLBJNWAHCXGIG-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8(16)6-14-12(17)15-11-7-13-10-5-3-2-4-9(10)11/h2-5,7-8,13,16H,6H2,1H3,(H2,14,15,17)/t8-/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxypropyl]-3-(1H-indol-3-yl)urea?
1-[(2R)-2-hydroxypropyl]-3-(1H-indol-3-yl)urea has a molecular weight of 233.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxypropyl]-3-(1H-indol-3-yl)urea is sourced from PubChem (CID 7615942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).