1-(2-hydroxyethyl)-3-(1-methylpyrrolidin-3-yl)urea

C8H17N3O2 — CID 117234415

IUPAC1-(2-hydroxyethyl)-3-(1-methylpyrrolidin-3-yl)urea
SMILESCN1CCC(NC(=O)NCCO)C1
InChIInChI=1S/C8H17N3O2/c1-11-4-2-7(6-11)10-8(13)9-3-5-12/h7,12H,2-6H2,1H3,(H2,9,10,13)
InChIKeyDZMXHGDSSQOEOU-UHFFFAOYSA-N
MW187.24 g/mol
LogP-1.02
Rot. Bonds3

About 1-(2-hydroxyethyl)-3-(1-methylpyrrolidin-3-yl)urea

1-(2-hydroxyethyl)-3-(1-methylpyrrolidin-3-yl)urea (PubChem CID 117234415) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(1-methylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(1-methylpyrrolidin-3-yl)urea
PubChem CID117234415
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name1-(2-hydroxyethyl)-3-(1-methylpyrrolidin-3-yl)urea
SMILESCN1CCC(NC(=O)NCCO)C1
InChIInChI=1S/C8H17N3O2/c1-11-4-2-7(6-11)10-8(13)9-3-5-12/h7,12H,2-6H2,1H3,(H2,9,10,13)
InChIKeyDZMXHGDSSQOEOU-UHFFFAOYSA-N
XLogP-1.02
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxyethyl)-3-(1-methylpiperidin-4-yl)urea
CID 117234476
1-(2-fluoroethyl)-3-(1-methylpyrrolidin-3-yl)urea
CID 131065223
6-[(1-methylpyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 54950039
4,4-dimethyl-6-[(1-methylpyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 65287791
1-(1-butylpiperidin-4-yl)-3-(2-hydroxyethyl)urea
CID 110911531
4-[2-[(1-methylpyrrolidin-3-yl)carbamoylamino]ethyl]benzoic acid
CID 61465139
(2R)-4-hydroxy-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 107826759
4-hydroxy-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 54949791
4-hydroxy-N-(1-methylpyrrolidin-3-yl)butanamide
CID 79192658
1-(2-hydroxyethyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 110894137
1-[(3R)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea
CID 59568945
4-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid
CID 61198226

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(1-methylpyrrolidin-3-yl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-(1-methylpyrrolidin-3-yl)urea (CID 117234415) is 1-(2-hydroxyethyl)-3-(1-methylpyrrolidin-3-yl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(1-methylpyrrolidin-3-yl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(1-methylpyrrolidin-3-yl)urea is CN1CCC(NC(=O)NCCO)C1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(1-methylpyrrolidin-3-yl)urea?
The InChIKey is DZMXHGDSSQOEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-11-4-2-7(6-11)10-8(13)9-3-5-12/h7,12H,2-6H2,1H3,(H2,9,10,13).
What are the key properties of 1-(2-hydroxyethyl)-3-(1-methylpyrrolidin-3-yl)urea?
1-(2-hydroxyethyl)-3-(1-methylpyrrolidin-3-yl)urea has a molecular weight of 187.24 g/mol, XLogP of -1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(1-methylpyrrolidin-3-yl)urea is sourced from PubChem (CID 117234415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).