1-(7aH-indol-3-yl)propan-2-ylurea

C12H15N3O — CID 24870747

IUPAC1-(7aH-indol-3-yl)propan-2-ylurea
SMILESCC(CC1=C2C=CC=CC2N=C1)NC(N)=O
InChIInChI=1S/C12H15N3O/c1-8(15-12(13)16)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7-8,11H,6H2,1H3,(H3,13,15,16)
InChIKeyMLHXZECEXBAGGR-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.31
Rot. Bonds3

About 1-(7aH-indol-3-yl)propan-2-ylurea

1-(7aH-indol-3-yl)propan-2-ylurea (PubChem CID 24870747) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(7aH-indol-3-yl)propan-2-ylurea.

Molecular Properties

Compound Name1-(7aH-indol-3-yl)propan-2-ylurea
PubChem CID24870747
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-(7aH-indol-3-yl)propan-2-ylurea
SMILESCC(CC1=C2C=CC=CC2N=C1)NC(N)=O
InChIInChI=1S/C12H15N3O/c1-8(15-12(13)16)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7-8,11H,6H2,1H3,(H3,13,15,16)
InChIKeyMLHXZECEXBAGGR-UHFFFAOYSA-N
XLogP1.31
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7aH-indol-3-yl)propan-2-ylurea?
The IUPAC name of 1-(7aH-indol-3-yl)propan-2-ylurea (CID 24870747) is 1-(7aH-indol-3-yl)propan-2-ylurea.
What is the SMILES notation for 1-(7aH-indol-3-yl)propan-2-ylurea?
The canonical SMILES for 1-(7aH-indol-3-yl)propan-2-ylurea is CC(CC1=C2C=CC=CC2N=C1)NC(N)=O.
What is the InChIKey of 1-(7aH-indol-3-yl)propan-2-ylurea?
The InChIKey is MLHXZECEXBAGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8(15-12(13)16)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7-8,11H,6H2,1H3,(H3,13,15,16).
What are the key properties of 1-(7aH-indol-3-yl)propan-2-ylurea?
1-(7aH-indol-3-yl)propan-2-ylurea has a molecular weight of 217.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7aH-indol-3-yl)propan-2-ylurea is sourced from PubChem (CID 24870747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).