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

C11H17N3O — CID 96569199

IUPAC1-(cyclopropylmethyl)-3-[(1-methylpyrrol-3-yl)methyl]urea
SMILESCn1ccc(CNC(=O)NCC2CC2)c1
InChIInChI=1S/C11H17N3O/c1-14-5-4-10(8-14)7-13-11(15)12-6-9-2-3-9/h4-5,8-9H,2-3,6-7H2,1H3,(H2,12,13,15)
InChIKeyZPXBOBOGBCUZJJ-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.23
Rot. Bonds4

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

1-(cyclopropylmethyl)-3-[(1-methylpyrrol-3-yl)methyl]urea (PubChem CID 96569199) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[(1-methylpyrrol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[(1-methylpyrrol-3-yl)methyl]urea
PubChem CID96569199
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(cyclopropylmethyl)-3-[(1-methylpyrrol-3-yl)methyl]urea
SMILESCn1ccc(CNC(=O)NCC2CC2)c1
InChIInChI=1S/C11H17N3O/c1-14-5-4-10(8-14)7-13-11(15)12-6-9-2-3-9/h4-5,8-9H,2-3,6-7H2,1H3,(H2,12,13,15)
InChIKeyZPXBOBOGBCUZJJ-UHFFFAOYSA-N
XLogP1.23
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 75394161
N-tert-butylpyrrole-1-carboxamide
CID 85628149
(1-propyl-1H-pyrrol-3-yl)methanamine
CID 66410379
[(1-ethyl-1H-pyrrol-3-yl)methyl](methyl)amine hydrochloride
CID 75525886
methyl N-((1-methyl-1H-pyrrol-3-yl)methyl)carbamate
CID 110782519
N-Methyl-3-(1H-pyrrol-1-ylmethyl)-1-piperidinecarboxamide
CID 2805517
N-butyl-4-pyrrol-1-ylpiperidine-1-carboxamide
CID 2822464
N-tert-butyl-2-trimethylsilylpyrrole-1-carboxamide
CID 85628323
N-tert-butyl-2-deuteriopyrrole-1-carboxamide
CID 134975771
N-Allyl-1H-pyrrole-1-carboxamide
CID 13811349
N-(3-(1H-pyrrol-1-yl)propyl)acetamide
CID 57561805
N-(3-pyrrol-1-yl-propyl)formamide
CID 88560062

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[(1-methylpyrrol-3-yl)methyl]urea?
The IUPAC name of 1-(cyclopropylmethyl)-3-[(1-methylpyrrol-3-yl)methyl]urea (CID 96569199) is 1-(cyclopropylmethyl)-3-[(1-methylpyrrol-3-yl)methyl]urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[(1-methylpyrrol-3-yl)methyl]urea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[(1-methylpyrrol-3-yl)methyl]urea is Cn1ccc(CNC(=O)NCC2CC2)c1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[(1-methylpyrrol-3-yl)methyl]urea?
The InChIKey is ZPXBOBOGBCUZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-14-5-4-10(8-14)7-13-11(15)12-6-9-2-3-9/h4-5,8-9H,2-3,6-7H2,1H3,(H2,12,13,15).
What are the key properties of 1-(cyclopropylmethyl)-3-[(1-methylpyrrol-3-yl)methyl]urea?
1-(cyclopropylmethyl)-3-[(1-methylpyrrol-3-yl)methyl]urea has a molecular weight of 207.28 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[(1-methylpyrrol-3-yl)methyl]urea is sourced from PubChem (CID 96569199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).