1,1-dimethyl-3-[1-(1H-pyrrol-2-yl)ethyl]urea

C9H15N3O — CID 130621343

IUPAC1,1-dimethyl-3-[1-(1H-pyrrol-2-yl)ethyl]urea
SMILESCC(NC(=O)N(C)C)c1ccc[nH]1
InChIInChI=1S/C9H15N3O/c1-7(8-5-4-6-10-8)11-9(13)12(2)3/h4-7,10H,1-3H3,(H,11,13)
InChIKeyUIEVVECTJUPSPQ-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.35
Rot. Bonds2

About 1,1-dimethyl-3-[1-(1H-pyrrol-2-yl)ethyl]urea

1,1-dimethyl-3-[1-(1H-pyrrol-2-yl)ethyl]urea (PubChem CID 130621343) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1,1-dimethyl-3-[1-(1H-pyrrol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[1-(1H-pyrrol-2-yl)ethyl]urea
PubChem CID130621343
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1,1-dimethyl-3-[1-(1H-pyrrol-2-yl)ethyl]urea
SMILESCC(NC(=O)N(C)C)c1ccc[nH]1
InChIInChI=1S/C9H15N3O/c1-7(8-5-4-6-10-8)11-9(13)12(2)3/h4-7,10H,1-3H3,(H,11,13)
InChIKeyUIEVVECTJUPSPQ-UHFFFAOYSA-N
XLogP1.35
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N,N-dimethyl-2-(1H-pyrrol-2-yl)acetamide
CID 116850119
3-[(1R)-1-(2-aminophenyl)ethyl]-1,1-dimethylurea
CID 40601139
3-[(1R)-1-[2-[[2-[(1R)-1-(dimethylcarbamoylamino)ethyl]phenyl]diselanyl]phenyl]ethyl]-1,1-dimethylurea
CID 10098789
3-amino-N,N-dimethyl-3-(1H-pyrrol-2-yl)propanamide
CID 116850307
methyl 2-hydroxy-2-(1H-pyrrol-2-yl)acetate
CID 83528987
3-[[carboxy(1H-pyrrol-2-yl)methyl]-methylamino]propanoic acid
CID 84748122
4-amino-3-methyl-4-(1H-pyrrol-2-yl)butanoic acid
CID 116938180
3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanoic acid
CID 116907990
2-(N-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid
CID 84748784
3-benzhydryl-1,1-dimethylurea
CID 2228466
1-bromo-1-(1H-pyrrol-2-yl)propan-2-one
CID 116859787
1-O-methyl 3-O-propan-2-yl 2-(1H-pyrrol-2-yl)propanedioate
CID 10105075

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[1-(1H-pyrrol-2-yl)ethyl]urea?
The IUPAC name of 1,1-dimethyl-3-[1-(1H-pyrrol-2-yl)ethyl]urea (CID 130621343) is 1,1-dimethyl-3-[1-(1H-pyrrol-2-yl)ethyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[1-(1H-pyrrol-2-yl)ethyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[1-(1H-pyrrol-2-yl)ethyl]urea is CC(NC(=O)N(C)C)c1ccc[nH]1.
What is the InChIKey of 1,1-dimethyl-3-[1-(1H-pyrrol-2-yl)ethyl]urea?
The InChIKey is UIEVVECTJUPSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(8-5-4-6-10-8)11-9(13)12(2)3/h4-7,10H,1-3H3,(H,11,13).
What are the key properties of 1,1-dimethyl-3-[1-(1H-pyrrol-2-yl)ethyl]urea?
1,1-dimethyl-3-[1-(1H-pyrrol-2-yl)ethyl]urea has a molecular weight of 181.24 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[1-(1H-pyrrol-2-yl)ethyl]urea is sourced from PubChem (CID 130621343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).