1-(1-ethylazetidin-3-yl)-3-methylurea

C7H15N3O — CID 126997556

IUPAC1-(1-ethylazetidin-3-yl)-3-methylurea
SMILESCCN1CC(NC(=O)NC)C1
InChIInChI=1S/C7H15N3O/c1-3-10-4-6(5-10)9-7(11)8-2/h6H,3-5H2,1-2H3,(H2,8,9,11)
InChIKeyRQAJGVQTNWTDSS-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.38
Rot. Bonds2

About 1-(1-ethylazetidin-3-yl)-3-methylurea

1-(1-ethylazetidin-3-yl)-3-methylurea (PubChem CID 126997556) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 1-(1-ethylazetidin-3-yl)-3-methylurea.

Molecular Properties

Compound Name1-(1-ethylazetidin-3-yl)-3-methylurea
PubChem CID126997556
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name1-(1-ethylazetidin-3-yl)-3-methylurea
SMILESCCN1CC(NC(=O)NC)C1
InChIInChI=1S/C7H15N3O/c1-3-10-4-6(5-10)9-7(11)8-2/h6H,3-5H2,1-2H3,(H2,8,9,11)
InChIKeyRQAJGVQTNWTDSS-UHFFFAOYSA-N
XLogP-0.38
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(1-ethylazetidin-3-yl)acetamide
CID 126997562
2-chloro-N-(1-ethylazetidin-3-yl)propanamide
CID 130743789
1-cyclopropyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589816
1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589989
2-ethyl-1-(1-ethylazetidin-3-yl)guanidine
CID 130654116
N-(1-ethylazetidin-3-yl)cyclohexanecarboxamide;molecular hydrogen
CID 153353379
N-(1-ethylazetidin-3-yl)bicyclo[2.1.1]hexane-2-carboxamide
CID 146427444
1-[1-(3-amino-2-methylpropyl)pyrrolidin-3-yl]-3-methylurea
CID 123509031
N-(1-ethylazetidin-3-yl)pyrrolidine-2-carboxamide
CID 130638003
N-(1-ethylazetidin-3-yl)bicyclo[2.1.1]hexane-1-carboxamide
CID 146427379
1-methyl-3-pyrazolidin-4-ylurea
CID 70272773
1-cyclopent-3-en-1-yl-3-methylurea
CID 115695215

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylazetidin-3-yl)-3-methylurea?
The IUPAC name of 1-(1-ethylazetidin-3-yl)-3-methylurea (CID 126997556) is 1-(1-ethylazetidin-3-yl)-3-methylurea.
What is the SMILES notation for 1-(1-ethylazetidin-3-yl)-3-methylurea?
The canonical SMILES for 1-(1-ethylazetidin-3-yl)-3-methylurea is CCN1CC(NC(=O)NC)C1.
What is the InChIKey of 1-(1-ethylazetidin-3-yl)-3-methylurea?
The InChIKey is RQAJGVQTNWTDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-3-10-4-6(5-10)9-7(11)8-2/h6H,3-5H2,1-2H3,(H2,8,9,11).
What are the key properties of 1-(1-ethylazetidin-3-yl)-3-methylurea?
1-(1-ethylazetidin-3-yl)-3-methylurea has a molecular weight of 157.22 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylazetidin-3-yl)-3-methylurea is sourced from PubChem (CID 126997556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).