1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(1H-indol-3-yl)ethyl]urea

C17H21N3O — CID 108915571

IUPAC1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(1H-indol-3-yl)ethyl]urea
SMILESC/C(=C\NC(=O)NCCc1c[nH]c2ccccc12)C1CC1
InChIInChI=1S/C17H21N3O/c1-12(13-6-7-13)10-20-17(21)18-9-8-14-11-19-16-5-3-2-4-15(14)16/h2-5,10-11,13,19H,6-9H2,1H3,(H2,18,20,21)/b12-10+
InChIKeyMEQFDKNNSLNKMX-ZRDIBKRKSA-N
MW283.37 g/mol
LogP3.32
Rot. Bonds5

About 1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(1H-indol-3-yl)ethyl]urea

1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(1H-indol-3-yl)ethyl]urea (PubChem CID 108915571) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(1H-indol-3-yl)ethyl]urea
PubChem CID108915571
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(1H-indol-3-yl)ethyl]urea
SMILESC/C(=C\NC(=O)NCCc1c[nH]c2ccccc12)C1CC1
InChIInChI=1S/C17H21N3O/c1-12(13-6-7-13)10-20-17(21)18-9-8-14-11-19-16-5-3-2-4-15(14)16/h2-5,10-11,13,19H,6-9H2,1H3,(H2,18,20,21)/b12-10+
InChIKeyMEQFDKNNSLNKMX-ZRDIBKRKSA-N
XLogP3.32
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze 1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(1H-indol-3-yl)ethyl]urea with MolForge

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Related Compounds

4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
4-N-butan-2-yl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145446
1-(2-cyclohexylethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108888651
1-[2-(1H-indol-3-yl)ethyl]-3-[4-(2-methylpiperidin-1-yl)butyl]urea
CID 55770071
2-[acetyl(cyclopropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113158350
3-amino-N-[2-(1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 66009623
1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea
CID 110675938
1-(cyanomethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108864863
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146249
4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145805
1-[2-(1H-indol-3-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 108988276

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(1H-indol-3-yl)ethyl]urea (CID 108915571) is 1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(1H-indol-3-yl)ethyl]urea is C/C(=C\NC(=O)NCCc1c[nH]c2ccccc12)C1CC1.
What is the InChIKey of 1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(1H-indol-3-yl)ethyl]urea?
The InChIKey is MEQFDKNNSLNKMX-ZRDIBKRKSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12(13-6-7-13)10-20-17(21)18-9-8-14-11-19-16-5-3-2-4-15(14)16/h2-5,10-11,13,19H,6-9H2,1H3,(H2,18,20,21)/b12-10+.
What are the key properties of 1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(1H-indol-3-yl)ethyl]urea?
1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(1H-indol-3-yl)ethyl]urea has a molecular weight of 283.37 g/mol, XLogP of 3.32, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclopropylprop-1-enyl]-3-[2-(1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 108915571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).