1-(1H-indol-6-yl)-3-[(1R,2S)-2-phenylcyclopropyl]urea

C18H17N3O — CID 167419906

IUPAC1-(1H-indol-6-yl)-3-[(1R,2S)-2-phenylcyclopropyl]urea
SMILESO=C(Nc1ccc2cc[nH]c2c1)N[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C18H17N3O/c22-18(20-14-7-6-13-8-9-19-16(13)10-14)21-17-11-15(17)12-4-2-1-3-5-12/h1-10,15,17,19H,11H2,(H2,20,21,22)/t15-,17+/m0/s1
InChIKeyYSQSAOWQINDAKZ-DOTOQJQBSA-N
MW291.35 g/mol
LogP3.85
Rot. Bonds3

About 1-(1H-indol-6-yl)-3-[(1R,2S)-2-phenylcyclopropyl]urea

1-(1H-indol-6-yl)-3-[(1R,2S)-2-phenylcyclopropyl]urea (PubChem CID 167419906) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(1H-indol-6-yl)-3-[(1R,2S)-2-phenylcyclopropyl]urea.

Molecular Properties

Compound Name1-(1H-indol-6-yl)-3-[(1R,2S)-2-phenylcyclopropyl]urea
PubChem CID167419906
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name1-(1H-indol-6-yl)-3-[(1R,2S)-2-phenylcyclopropyl]urea
SMILESO=C(Nc1ccc2cc[nH]c2c1)N[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C18H17N3O/c22-18(20-14-7-6-13-8-9-19-16(13)10-14)21-17-11-15(17)12-4-2-1-3-5-12/h1-10,15,17,19H,11H2,(H2,20,21,22)/t15-,17+/m0/s1
InChIKeyYSQSAOWQINDAKZ-DOTOQJQBSA-N
XLogP3.85
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-6-yl)-3-[(1R,2S)-2-phenylcyclopropyl]urea?
The IUPAC name of 1-(1H-indol-6-yl)-3-[(1R,2S)-2-phenylcyclopropyl]urea (CID 167419906) is 1-(1H-indol-6-yl)-3-[(1R,2S)-2-phenylcyclopropyl]urea.
What is the SMILES notation for 1-(1H-indol-6-yl)-3-[(1R,2S)-2-phenylcyclopropyl]urea?
The canonical SMILES for 1-(1H-indol-6-yl)-3-[(1R,2S)-2-phenylcyclopropyl]urea is O=C(Nc1ccc2cc[nH]c2c1)N[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of 1-(1H-indol-6-yl)-3-[(1R,2S)-2-phenylcyclopropyl]urea?
The InChIKey is YSQSAOWQINDAKZ-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H17N3O/c22-18(20-14-7-6-13-8-9-19-16(13)10-14)21-17-11-15(17)12-4-2-1-3-5-12/h1-10,15,17,19H,11H2,(H2,20,21,22)/t15-,17+/m0/s1.
What are the key properties of 1-(1H-indol-6-yl)-3-[(1R,2S)-2-phenylcyclopropyl]urea?
1-(1H-indol-6-yl)-3-[(1R,2S)-2-phenylcyclopropyl]urea has a molecular weight of 291.35 g/mol, XLogP of 3.85, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-6-yl)-3-[(1R,2S)-2-phenylcyclopropyl]urea is sourced from PubChem (CID 167419906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).