1-methyl-3-(pyrrolidin-2-ylmethyl)urea;hydrochloride

C7H16ClN3O — CID 134691033

IUPAC1-methyl-3-(pyrrolidin-2-ylmethyl)urea;hydrochloride
SMILESCNC(=O)NCC1CCCN1.Cl
InChIInChI=1S/C7H15N3O.ClH/c1-8-7(11)10-5-6-3-2-4-9-6;/h6,9H,2-5H2,1H3,(H2,8,10,11);1H
InChIKeyZVYGYWBPKYVMME-UHFFFAOYSA-N
MW193.68 g/mol
LogP0.09
Rot. Bonds2

About 1-methyl-3-(pyrrolidin-2-ylmethyl)urea;hydrochloride

1-methyl-3-(pyrrolidin-2-ylmethyl)urea;hydrochloride (PubChem CID 134691033) has the molecular formula C7H16ClN3O and a molecular weight of 193.68 g/mol. Its IUPAC name is 1-methyl-3-(pyrrolidin-2-ylmethyl)urea;hydrochloride.

Molecular Properties

Compound Name1-methyl-3-(pyrrolidin-2-ylmethyl)urea;hydrochloride
PubChem CID134691033
Molecular FormulaC7H16ClN3O
Molecular Weight193.68 g/mol
Exact Mass193.10
IUPAC Name1-methyl-3-(pyrrolidin-2-ylmethyl)urea;hydrochloride
SMILESCNC(=O)NCC1CCCN1.Cl
InChIInChI=1S/C7H15N3O.ClH/c1-8-7(11)10-5-6-3-2-4-9-6;/h6,9H,2-5H2,1H3,(H2,8,10,11);1H
InChIKeyZVYGYWBPKYVMME-UHFFFAOYSA-N
XLogP0.09
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(pyrrolidin-2-ylmethyl)urea;hydrochloride?
The IUPAC name of 1-methyl-3-(pyrrolidin-2-ylmethyl)urea;hydrochloride (CID 134691033) is 1-methyl-3-(pyrrolidin-2-ylmethyl)urea;hydrochloride.
What is the SMILES notation for 1-methyl-3-(pyrrolidin-2-ylmethyl)urea;hydrochloride?
The canonical SMILES for 1-methyl-3-(pyrrolidin-2-ylmethyl)urea;hydrochloride is CNC(=O)NCC1CCCN1.Cl.
What is the InChIKey of 1-methyl-3-(pyrrolidin-2-ylmethyl)urea;hydrochloride?
The InChIKey is ZVYGYWBPKYVMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O.ClH/c1-8-7(11)10-5-6-3-2-4-9-6;/h6,9H,2-5H2,1H3,(H2,8,10,11);1H.
What are the key properties of 1-methyl-3-(pyrrolidin-2-ylmethyl)urea;hydrochloride?
1-methyl-3-(pyrrolidin-2-ylmethyl)urea;hydrochloride has a molecular weight of 193.68 g/mol, XLogP of 0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(pyrrolidin-2-ylmethyl)urea;hydrochloride is sourced from PubChem (CID 134691033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).