1-propan-2-yl-3-pyrrolidin-3-ylurea;hydrochloride

C8H18ClN3O — CID 170911671

IUPAC1-propan-2-yl-3-pyrrolidin-3-ylurea;hydrochloride
SMILESCC(C)NC(=O)NC1CCNC1.Cl
InChIInChI=1S/C8H17N3O.ClH/c1-6(2)10-8(12)11-7-3-4-9-5-7;/h6-7,9H,3-5H2,1-2H3,(H2,10,11,12);1H
InChIKeyZNJCXOZPFGGFJB-UHFFFAOYSA-N
MW207.70 g/mol
LogP0.48
Rot. Bonds2

About 1-propan-2-yl-3-pyrrolidin-3-ylurea;hydrochloride

1-propan-2-yl-3-pyrrolidin-3-ylurea;hydrochloride (PubChem CID 170911671) has the molecular formula C8H18ClN3O and a molecular weight of 207.70 g/mol. Its IUPAC name is 1-propan-2-yl-3-pyrrolidin-3-ylurea;hydrochloride.

Molecular Properties

Compound Name1-propan-2-yl-3-pyrrolidin-3-ylurea;hydrochloride
PubChem CID170911671
Molecular FormulaC8H18ClN3O
Molecular Weight207.70 g/mol
Exact Mass207.11
IUPAC Name1-propan-2-yl-3-pyrrolidin-3-ylurea;hydrochloride
SMILESCC(C)NC(=O)NC1CCNC1.Cl
InChIInChI=1S/C8H17N3O.ClH/c1-6(2)10-8(12)11-7-3-4-9-5-7;/h6-7,9H,3-5H2,1-2H3,(H2,10,11,12);1H
InChIKeyZNJCXOZPFGGFJB-UHFFFAOYSA-N
XLogP0.48
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 97832
1-(Propan-2-yl)imidazolidin-2-one
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3-(dimethylamino)-N-ethylpyrrolidine-1-carboxamide
CID 68378697
3-(dimethylamino)-N,N-dimethylpyrrolidine-1-carboxamide
CID 110470361
Urea, (1-ethyl-3-pyrrolidinyl)-
CID 209543
1,5-Dimethylimidazolidin-2-one
CID 11263488
3-Methyl-1-(pyrrolidin-3-yl)urea
CID 22504281
1,3,3-Trimethyl-1-(pyrrolidin-3-yl)urea
CID 79154183
(4S)-4-methylimidazolidin-2-one
CID 57202305
N-(1-Cyclohexylpyrrolidin-3-yl)-N'-propan-2-ylcarbamimidic acid
CID 209545
1-(Piperidin-4-yl)imidazolidin-2-one hydrochloride
CID 13031758
1,4-Dimethylimidazolidin-2-one
CID 15646794

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-pyrrolidin-3-ylurea;hydrochloride?
The IUPAC name of 1-propan-2-yl-3-pyrrolidin-3-ylurea;hydrochloride (CID 170911671) is 1-propan-2-yl-3-pyrrolidin-3-ylurea;hydrochloride.
What is the SMILES notation for 1-propan-2-yl-3-pyrrolidin-3-ylurea;hydrochloride?
The canonical SMILES for 1-propan-2-yl-3-pyrrolidin-3-ylurea;hydrochloride is CC(C)NC(=O)NC1CCNC1.Cl.
What is the InChIKey of 1-propan-2-yl-3-pyrrolidin-3-ylurea;hydrochloride?
The InChIKey is ZNJCXOZPFGGFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O.ClH/c1-6(2)10-8(12)11-7-3-4-9-5-7;/h6-7,9H,3-5H2,1-2H3,(H2,10,11,12);1H.
What are the key properties of 1-propan-2-yl-3-pyrrolidin-3-ylurea;hydrochloride?
1-propan-2-yl-3-pyrrolidin-3-ylurea;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-pyrrolidin-3-ylurea;hydrochloride is sourced from PubChem (CID 170911671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).