1-(2-cyclopropylethyl)-3-(1H-indol-6-yl)urea

C14H17N3O — CID 155411868

IUPAC1-(2-cyclopropylethyl)-3-(1H-indol-6-yl)urea
SMILESO=C(NCCC1CC1)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C14H17N3O/c18-14(16-7-5-10-1-2-10)17-12-4-3-11-6-8-15-13(11)9-12/h3-4,6,8-10,15H,1-2,5,7H2,(H2,16,17,18)
InChIKeyZIWIQDAXURJQOH-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.09
Rot. Bonds4

About 1-(2-cyclopropylethyl)-3-(1H-indol-6-yl)urea

1-(2-cyclopropylethyl)-3-(1H-indol-6-yl)urea (PubChem CID 155411868) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(2-cyclopropylethyl)-3-(1H-indol-6-yl)urea.

Molecular Properties

Compound Name1-(2-cyclopropylethyl)-3-(1H-indol-6-yl)urea
PubChem CID155411868
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(2-cyclopropylethyl)-3-(1H-indol-6-yl)urea
SMILESO=C(NCCC1CC1)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C14H17N3O/c18-14(16-7-5-10-1-2-10)17-12-4-3-11-6-8-15-13(11)9-12/h3-4,6,8-10,15H,1-2,5,7H2,(H2,16,17,18)
InChIKeyZIWIQDAXURJQOH-UHFFFAOYSA-N
XLogP3.09
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1H-indol-6-yl)-3-pentylurea
CID 155412349
1-(1H-indol-6-yl)-3-[2-[2-(trifluoromethyl)phenoxy]ethyl]urea
CID 155412410
3-fluoro-N-[2-(1H-indol-6-ylcarbamoylamino)ethyl]-4-methylbenzamide
CID 166229477
N-(1H-indol-6-yl)cycloheptanecarboxamide
CID 154864355
(Z)-3-amino-N-(1H-indol-6-ylcarbamoyl)prop-2-enamide
CID 155412139
1-(2-ethylphenyl)-3-(1H-indol-6-yl)urea
CID 17181458
1-(1H-indol-5-yl)-3-(2-phenylethyl)urea
CID 155412352
N-(1H-indol-6-yl)prop-2-enamide
CID 125475014
1-(1H-indol-6-yl)-3-(4-octylphenyl)urea
CID 155412325
1-(2-cyclopentylethyl)-3-[4-(dimethylamino)-3-methylphenyl]urea
CID 78877830
1-(3,4-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea
CID 63622133
1-(1H-indol-6-yl)-3-[(1R,2S)-2-phenylcyclopropyl]urea
CID 167419906

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethyl)-3-(1H-indol-6-yl)urea?
The IUPAC name of 1-(2-cyclopropylethyl)-3-(1H-indol-6-yl)urea (CID 155411868) is 1-(2-cyclopropylethyl)-3-(1H-indol-6-yl)urea.
What is the SMILES notation for 1-(2-cyclopropylethyl)-3-(1H-indol-6-yl)urea?
The canonical SMILES for 1-(2-cyclopropylethyl)-3-(1H-indol-6-yl)urea is O=C(NCCC1CC1)Nc1ccc2cc[nH]c2c1.
What is the InChIKey of 1-(2-cyclopropylethyl)-3-(1H-indol-6-yl)urea?
The InChIKey is ZIWIQDAXURJQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c18-14(16-7-5-10-1-2-10)17-12-4-3-11-6-8-15-13(11)9-12/h3-4,6,8-10,15H,1-2,5,7H2,(H2,16,17,18).
What are the key properties of 1-(2-cyclopropylethyl)-3-(1H-indol-6-yl)urea?
1-(2-cyclopropylethyl)-3-(1H-indol-6-yl)urea has a molecular weight of 243.31 g/mol, XLogP of 3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethyl)-3-(1H-indol-6-yl)urea is sourced from PubChem (CID 155411868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).