1-methyl-3-[1-(1-methylpyrrol-3-yl)ethyl]urea

C9H15N3O — CID 130643698

IUPAC1-methyl-3-[1-(1-methylpyrrol-3-yl)ethyl]urea
SMILESCNC(=O)NC(C)c1ccn(C)c1
InChIInChI=1S/C9H15N3O/c1-7(11-9(13)10-2)8-4-5-12(3)6-8/h4-7H,1-3H3,(H2,10,11,13)
InChIKeyNDBRZFMCDFDBJQ-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.02
Rot. Bonds2

About 1-methyl-3-[1-(1-methylpyrrol-3-yl)ethyl]urea

1-methyl-3-[1-(1-methylpyrrol-3-yl)ethyl]urea (PubChem CID 130643698) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-methyl-3-[1-(1-methylpyrrol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-3-[1-(1-methylpyrrol-3-yl)ethyl]urea
PubChem CID130643698
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-methyl-3-[1-(1-methylpyrrol-3-yl)ethyl]urea
SMILESCNC(=O)NC(C)c1ccn(C)c1
InChIInChI=1S/C9H15N3O/c1-7(11-9(13)10-2)8-4-5-12(3)6-8/h4-7H,1-3H3,(H2,10,11,13)
InChIKeyNDBRZFMCDFDBJQ-UHFFFAOYSA-N
XLogP1.02
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[(1R)-1-(4-bromophenyl)ethyl]-3-methylurea
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CID 167817555
1-methyl-3-(1-pyridin-3-ylethyl)urea
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CID 82468283
1-[1-(3-chlorophenyl)ethyl]-3-methylurea
CID 47127326
1-[(1S)-1-(3-chlorophenyl)ethyl]-3-[(1-methylpyrrol-3-yl)methyl]urea
CID 96569165
2-(1-methylpyrrol-3-yl)-2-(propan-2-ylamino)ethanol
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-(1-methylpyrrol-3-yl)ethyl]urea?
The IUPAC name of 1-methyl-3-[1-(1-methylpyrrol-3-yl)ethyl]urea (CID 130643698) is 1-methyl-3-[1-(1-methylpyrrol-3-yl)ethyl]urea.
What is the SMILES notation for 1-methyl-3-[1-(1-methylpyrrol-3-yl)ethyl]urea?
The canonical SMILES for 1-methyl-3-[1-(1-methylpyrrol-3-yl)ethyl]urea is CNC(=O)NC(C)c1ccn(C)c1.
What is the InChIKey of 1-methyl-3-[1-(1-methylpyrrol-3-yl)ethyl]urea?
The InChIKey is NDBRZFMCDFDBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(11-9(13)10-2)8-4-5-12(3)6-8/h4-7H,1-3H3,(H2,10,11,13).
What are the key properties of 1-methyl-3-[1-(1-methylpyrrol-3-yl)ethyl]urea?
1-methyl-3-[1-(1-methylpyrrol-3-yl)ethyl]urea has a molecular weight of 181.24 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-(1-methylpyrrol-3-yl)ethyl]urea is sourced from PubChem (CID 130643698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).