1-ethyl-3-pyrrolidin-3-ylurea

C7H15N3O — CID 43604171

IUPAC1-ethyl-3-pyrrolidin-3-ylurea
SMILESCCNC(=O)NC1CCNC1
InChIInChI=1S/C7H15N3O/c1-2-9-7(11)10-6-3-4-8-5-6/h6,8H,2-5H2,1H3,(H2,9,10,11)
InChIKeyXKCJNLRDWOJHGS-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.33
Rot. Bonds2

About 1-ethyl-3-pyrrolidin-3-ylurea

1-ethyl-3-pyrrolidin-3-ylurea (PubChem CID 43604171) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 1-ethyl-3-pyrrolidin-3-ylurea.

Molecular Properties

Compound Name1-ethyl-3-pyrrolidin-3-ylurea
PubChem CID43604171
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name1-ethyl-3-pyrrolidin-3-ylurea
SMILESCCNC(=O)NC1CCNC1
InChIInChI=1S/C7H15N3O/c1-2-9-7(11)10-6-3-4-8-5-6/h6,8H,2-5H2,1H3,(H2,9,10,11)
InChIKeyXKCJNLRDWOJHGS-UHFFFAOYSA-N
XLogP-0.33
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-Propylene urea
CID 97832
1-Cyclopropylimidazolidin-2-one
CID 53936882
4,4-Dimethylimidazolidin-2-one
CID 232656
[(Pyrrolidin-2-yl)methyl]urea
CID 62541812
1-(Propan-2-yl)imidazolidin-2-one
CID 21719015
3-(dimethylamino)-N-ethylpyrrolidine-1-carboxamide
CID 68378697
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
1,4-Dimethylimidazolidin-2-one
CID 15646794

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-pyrrolidin-3-ylurea?
The IUPAC name of 1-ethyl-3-pyrrolidin-3-ylurea (CID 43604171) is 1-ethyl-3-pyrrolidin-3-ylurea.
What is the SMILES notation for 1-ethyl-3-pyrrolidin-3-ylurea?
The canonical SMILES for 1-ethyl-3-pyrrolidin-3-ylurea is CCNC(=O)NC1CCNC1.
What is the InChIKey of 1-ethyl-3-pyrrolidin-3-ylurea?
The InChIKey is XKCJNLRDWOJHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-2-9-7(11)10-6-3-4-8-5-6/h6,8H,2-5H2,1H3,(H2,9,10,11).
What are the key properties of 1-ethyl-3-pyrrolidin-3-ylurea?
1-ethyl-3-pyrrolidin-3-ylurea has a molecular weight of 157.22 g/mol, XLogP of -0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-pyrrolidin-3-ylurea is sourced from PubChem (CID 43604171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).