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

C11H17N3O2 — CID 103839161

IUPAC1-[(1-methylpyrrol-3-yl)methyl]-3-(oxolan-3-yl)urea
SMILESCn1ccc(CNC(=O)NC2CCOC2)c1
InChIInChI=1S/C11H17N3O2/c1-14-4-2-9(7-14)6-12-11(15)13-10-3-5-16-8-10/h2,4,7,10H,3,5-6,8H2,1H3,(H2,12,13,15)
InChIKeyMZGQAPNJDZHSFO-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.61
Rot. Bonds3

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

1-[(1-methylpyrrol-3-yl)methyl]-3-(oxolan-3-yl)urea (PubChem CID 103839161) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-[(1-methylpyrrol-3-yl)methyl]-3-(oxolan-3-yl)urea.

Molecular Properties

Compound Name1-[(1-methylpyrrol-3-yl)methyl]-3-(oxolan-3-yl)urea
PubChem CID103839161
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-[(1-methylpyrrol-3-yl)methyl]-3-(oxolan-3-yl)urea
SMILESCn1ccc(CNC(=O)NC2CCOC2)c1
InChIInChI=1S/C11H17N3O2/c1-14-4-2-9(7-14)6-12-11(15)13-10-3-5-16-8-10/h2,4,7,10H,3,5-6,8H2,1H3,(H2,12,13,15)
InChIKeyMZGQAPNJDZHSFO-UHFFFAOYSA-N
XLogP0.61
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpyrrol-3-yl)methyl]oxan-4-amine
CID 66397450
1-[(2-hydroxyphenyl)methyl]-3-(oxolan-3-yl)urea
CID 115759359
1-(1,3-benzodioxol-5-ylmethyl)-3-(oxolan-3-yl)urea
CID 115755744
oxetan-3-yl N-[(1-methylpyrrol-3-yl)methyl]carbamate
CID 138052460
1-[(5-chlorothiophen-2-yl)methyl]-3-(oxolan-3-yl)urea
CID 115758267
1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(oxolan-3-yl)urea
CID 106370612
4-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]piperidine-1-carboxamide
CID 84590732
N-[(1-methylpyrrol-3-yl)methyl]-1-(oxan-4-yl)methanamine
CID 66399833
N-[(1-methylpyrrol-3-yl)methyl]-3-phenyl-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrole-1-carboxamide
CID 126840576
N-[2-(oxolan-3-ylcarbamoylamino)ethyl]acetamide
CID 115759237
N-[(1-methylpyrrol-3-yl)methyl]piperidine-4-carboxamide
CID 82494322
3,3-difluoro-N-[(1-methylpyrrol-3-yl)methyl]cyclobutane-1-carboxamide
CID 126778492

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrrol-3-yl)methyl]-3-(oxolan-3-yl)urea?
The IUPAC name of 1-[(1-methylpyrrol-3-yl)methyl]-3-(oxolan-3-yl)urea (CID 103839161) is 1-[(1-methylpyrrol-3-yl)methyl]-3-(oxolan-3-yl)urea.
What is the SMILES notation for 1-[(1-methylpyrrol-3-yl)methyl]-3-(oxolan-3-yl)urea?
The canonical SMILES for 1-[(1-methylpyrrol-3-yl)methyl]-3-(oxolan-3-yl)urea is Cn1ccc(CNC(=O)NC2CCOC2)c1.
What is the InChIKey of 1-[(1-methylpyrrol-3-yl)methyl]-3-(oxolan-3-yl)urea?
The InChIKey is MZGQAPNJDZHSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-14-4-2-9(7-14)6-12-11(15)13-10-3-5-16-8-10/h2,4,7,10H,3,5-6,8H2,1H3,(H2,12,13,15).
What are the key properties of 1-[(1-methylpyrrol-3-yl)methyl]-3-(oxolan-3-yl)urea?
1-[(1-methylpyrrol-3-yl)methyl]-3-(oxolan-3-yl)urea has a molecular weight of 223.28 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrrol-3-yl)methyl]-3-(oxolan-3-yl)urea is sourced from PubChem (CID 103839161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).