(E)-[(Z)-1-amino-3-cyclopentyl-3-hydroxyprop-2-enylidene]urea

C9H15N3O2 — CID 137295979

IUPAC(E)-[(Z)-1-amino-3-cyclopentyl-3-hydroxyprop-2-enylidene]urea
SMILESNC(=O)/N=C(N)\C=C(/O)C1CCCC1
InChIInChI=1S/C9H15N3O2/c10-8(12-9(11)14)5-7(13)6-3-1-2-4-6/h5-6,13H,1-4H2,(H4,10,11,12,14)/b7-5-
InChIKeyVVWKOESEVUIPEO-ALCCZGGFSA-N
MW197.24 g/mol
LogP1.05
Rot. Bonds2

About (E)-[(Z)-1-amino-3-cyclopentyl-3-hydroxyprop-2-enylidene]urea

(E)-[(Z)-1-amino-3-cyclopentyl-3-hydroxyprop-2-enylidene]urea (PubChem CID 137295979) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is (E)-[(Z)-1-amino-3-cyclopentyl-3-hydroxyprop-2-enylidene]urea.

Molecular Properties

Compound Name(E)-[(Z)-1-amino-3-cyclopentyl-3-hydroxyprop-2-enylidene]urea
PubChem CID137295979
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name(E)-[(Z)-1-amino-3-cyclopentyl-3-hydroxyprop-2-enylidene]urea
SMILESNC(=O)/N=C(N)\C=C(/O)C1CCCC1
InChIInChI=1S/C9H15N3O2/c10-8(12-9(11)14)5-7(13)6-3-1-2-4-6/h5-6,13H,1-4H2,(H4,10,11,12,14)/b7-5-
InChIKeyVVWKOESEVUIPEO-ALCCZGGFSA-N
XLogP1.05
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[(Z)-1-amino-3-cyclohexyl-3-hydroxyprop-2-enylidene]pentanamide
CID 142964592
(Z)-1,3-dicyclohexyl-3-hydroxyprop-2-en-1-one;zirconium
CID 171762262
(Z)-3-cyclopentyl-3-hydroxyprop-2-enimidamide
CID 143865489
1,3-dicyclopropyl-3-hydroxyprop-2-en-1-one
CID 131339559
cyclopentanecarboxylic acid
CID 18840
(Z)-3-cyclohexylbut-2-enamide
CID 19353012
2-cyclohexylbut-2-enediamide
CID 151583610
cyclopentanecarboxylic acid;indigane
CID 173230713
cyclotetracosanecarboxylic acid
CID 176986816
cyclohexanecarboxylic acid
CID 11286469
cyclooctadecane-1,7,13-tricarboxylic acid
CID 10715056
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;carbamic acid
CID 174429341

Frequently Asked Questions

What is the IUPAC name of (E)-[(Z)-1-amino-3-cyclopentyl-3-hydroxyprop-2-enylidene]urea?
The IUPAC name of (E)-[(Z)-1-amino-3-cyclopentyl-3-hydroxyprop-2-enylidene]urea (CID 137295979) is (E)-[(Z)-1-amino-3-cyclopentyl-3-hydroxyprop-2-enylidene]urea.
What is the SMILES notation for (E)-[(Z)-1-amino-3-cyclopentyl-3-hydroxyprop-2-enylidene]urea?
The canonical SMILES for (E)-[(Z)-1-amino-3-cyclopentyl-3-hydroxyprop-2-enylidene]urea is NC(=O)/N=C(N)\C=C(/O)C1CCCC1.
What is the InChIKey of (E)-[(Z)-1-amino-3-cyclopentyl-3-hydroxyprop-2-enylidene]urea?
The InChIKey is VVWKOESEVUIPEO-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H15N3O2/c10-8(12-9(11)14)5-7(13)6-3-1-2-4-6/h5-6,13H,1-4H2,(H4,10,11,12,14)/b7-5-.
What are the key properties of (E)-[(Z)-1-amino-3-cyclopentyl-3-hydroxyprop-2-enylidene]urea?
(E)-[(Z)-1-amino-3-cyclopentyl-3-hydroxyprop-2-enylidene]urea has a molecular weight of 197.24 g/mol, XLogP of 1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[(Z)-1-amino-3-cyclopentyl-3-hydroxyprop-2-enylidene]urea is sourced from PubChem (CID 137295979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).