[(E)-[(5R)-5-methylhept-6-en-3-ylidene]amino]urea

C9H17N3O — CID 92524203

IUPAC[(E)-[(5R)-5-methylhept-6-en-3-ylidene]amino]urea
SMILESC=C[C@H](C)C/C(CC)=N/NC(N)=O
InChIInChI=1S/C9H17N3O/c1-4-7(3)6-8(5-2)11-12-9(10)13/h4,7H,1,5-6H2,2-3H3,(H3,10,12,13)/b11-8+/t7-/m0/s1
InChIKeyKFZCMIYZANJEKG-AHHRJZGPSA-N
MW183.25 g/mol
LogP1.63
Rot. Bonds5

About [(E)-[(5R)-5-methylhept-6-en-3-ylidene]amino]urea

[(E)-[(5R)-5-methylhept-6-en-3-ylidene]amino]urea (PubChem CID 92524203) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is [(E)-[(5R)-5-methylhept-6-en-3-ylidene]amino]urea.

Molecular Properties

Compound Name[(E)-[(5R)-5-methylhept-6-en-3-ylidene]amino]urea
PubChem CID92524203
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name[(E)-[(5R)-5-methylhept-6-en-3-ylidene]amino]urea
SMILESC=C[C@H](C)C/C(CC)=N/NC(N)=O
InChIInChI=1S/C9H17N3O/c1-4-7(3)6-8(5-2)11-12-9(10)13/h4,7H,1,5-6H2,2-3H3,(H3,10,12,13)/b11-8+/t7-/m0/s1
InChIKeyKFZCMIYZANJEKG-AHHRJZGPSA-N
XLogP1.63
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-4,7-dimethyloct-6-en-3-ylideneamino]urea
CID 44563968
[(Z)-(2-prop-2-enylcyclohexylidene)amino]urea
CID 6369460
[(Z)-5-methylhept-6-en-3-ylideneamino]urea
CID 6385749
[(E)-1-cyclohex-3-en-1-ylpropan-2-ylideneamino]urea
CID 9561216
(2,3,3-Trimethylhept-1-en-4-ylideneamino)urea
CID 228099
(1-Cyclohex-3-en-1-ylpropan-2-ylideneamino)urea
CID 234229
(3,4-Dimethylpent-4-en-2-ylideneamino)urea
CID 263648
(2,4-Dimethylpent-1-en-3-ylideneamino)urea
CID 263769
(5-Methylhept-6-en-3-ylideneamino)urea
CID 278488
[3-(Cyclohexen-1-yl)hex-5-en-2-ylideneamino]urea
CID 278955
[(2-Prop-2-enylcyclohexylidene)amino]urea
CID 346613
[1-(2-Methylcyclohex-2-en-1-yl)ethylideneamino]urea
CID 4191464

Frequently Asked Questions

What is the IUPAC name of [(E)-[(5R)-5-methylhept-6-en-3-ylidene]amino]urea?
The IUPAC name of [(E)-[(5R)-5-methylhept-6-en-3-ylidene]amino]urea (CID 92524203) is [(E)-[(5R)-5-methylhept-6-en-3-ylidene]amino]urea.
What is the SMILES notation for [(E)-[(5R)-5-methylhept-6-en-3-ylidene]amino]urea?
The canonical SMILES for [(E)-[(5R)-5-methylhept-6-en-3-ylidene]amino]urea is C=C[C@H](C)C/C(CC)=N/NC(N)=O.
What is the InChIKey of [(E)-[(5R)-5-methylhept-6-en-3-ylidene]amino]urea?
The InChIKey is KFZCMIYZANJEKG-AHHRJZGPSA-N. The full InChI is InChI=1S/C9H17N3O/c1-4-7(3)6-8(5-2)11-12-9(10)13/h4,7H,1,5-6H2,2-3H3,(H3,10,12,13)/b11-8+/t7-/m0/s1.
What are the key properties of [(E)-[(5R)-5-methylhept-6-en-3-ylidene]amino]urea?
[(E)-[(5R)-5-methylhept-6-en-3-ylidene]amino]urea has a molecular weight of 183.25 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(5R)-5-methylhept-6-en-3-ylidene]amino]urea is sourced from PubChem (CID 92524203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).