[(E)-5-phenylpentan-2-ylideneamino]urea

C12H17N3O — CID 121008889

IUPAC[(E)-5-phenylpentan-2-ylideneamino]urea
SMILESC/C(CCCc1ccccc1)=N\NC(N)=O
InChIInChI=1S/C12H17N3O/c1-10(14-15-12(13)16)6-5-9-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9H2,1H3,(H3,13,15,16)/b14-10+
InChIKeyYXJUASRYALCRBY-GXDHUFHOSA-N
MW219.29 g/mol
LogP2.05
Rot. Bonds5

About [(E)-5-phenylpentan-2-ylideneamino]urea

[(E)-5-phenylpentan-2-ylideneamino]urea (PubChem CID 121008889) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is [(E)-5-phenylpentan-2-ylideneamino]urea.

Molecular Properties

Compound Name[(E)-5-phenylpentan-2-ylideneamino]urea
PubChem CID121008889
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name[(E)-5-phenylpentan-2-ylideneamino]urea
SMILESC/C(CCCc1ccccc1)=N\NC(N)=O
InChIInChI=1S/C12H17N3O/c1-10(14-15-12(13)16)6-5-9-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9H2,1H3,(H3,13,15,16)/b14-10+
InChIKeyYXJUASRYALCRBY-GXDHUFHOSA-N
XLogP2.05
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(6-phenylhexan-3-ylideneamino)urea
CID 2750652
[(Z)-6-phenylmethoxyhexan-2-ylideneamino]urea
CID 6391406
N'-[(Z)-4-phenylbutan-2-ylideneamino]oxamide
CID 9120882
[(E)-4-(3-chlorophenyl)butan-2-ylideneamino]urea
CID 5380292
[(Z)-4-phenylbutan-2-ylideneamino]thiourea
CID 5360785
methyl N-[(Z)-4-phenylbutan-2-ylideneamino]carbamate
CID 9075450
[(Z)-hexan-2-ylideneamino]urea
CID 6152474
5-phenylpentan-2-one
CID 16701
N-(pentan-2-ylideneamino)-2-phenylacetamide
CID 4057395
4-bromo-N-[(E)-4-phenylbutan-2-ylideneamino]benzamide
CID 7563691
N,N'-bis[(Z)-1-phenylpropan-2-ylideneamino]butanediamide
CID 6379679
[(E)-[1-(2,4-dihydroxyphenyl)-3-phenylpropylidene]amino]urea
CID 135699730

Frequently Asked Questions

What is the IUPAC name of [(E)-5-phenylpentan-2-ylideneamino]urea?
The IUPAC name of [(E)-5-phenylpentan-2-ylideneamino]urea (CID 121008889) is [(E)-5-phenylpentan-2-ylideneamino]urea.
What is the SMILES notation for [(E)-5-phenylpentan-2-ylideneamino]urea?
The canonical SMILES for [(E)-5-phenylpentan-2-ylideneamino]urea is C/C(CCCc1ccccc1)=N\NC(N)=O.
What is the InChIKey of [(E)-5-phenylpentan-2-ylideneamino]urea?
The InChIKey is YXJUASRYALCRBY-GXDHUFHOSA-N. The full InChI is InChI=1S/C12H17N3O/c1-10(14-15-12(13)16)6-5-9-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9H2,1H3,(H3,13,15,16)/b14-10+.
What are the key properties of [(E)-5-phenylpentan-2-ylideneamino]urea?
[(E)-5-phenylpentan-2-ylideneamino]urea has a molecular weight of 219.29 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-phenylpentan-2-ylideneamino]urea is sourced from PubChem (CID 121008889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).