[(3Z,5Z,7E)-7-chloronona-3,5,7-trien-4-yl]urea

C10H15ClN2O — CID 153341495

IUPAC[(3Z,5Z,7E)-7-chloronona-3,5,7-trien-4-yl]urea
SMILESC/C=C(Cl)\C=C/C(=C/CC)NC(N)=O
InChIInChI=1S/C10H15ClN2O/c1-3-5-9(13-10(12)14)7-6-8(11)4-2/h4-7H,3H2,1-2H3,(H3,12,13,14)/b7-6-,8-4+,9-5-
InChIKeyJZNROXQYDIMKKE-ZEELDGCASA-N
MW214.70 g/mol
LogP2.65
Rot. Bonds4

About [(3Z,5Z,7E)-7-chloronona-3,5,7-trien-4-yl]urea

[(3Z,5Z,7E)-7-chloronona-3,5,7-trien-4-yl]urea (PubChem CID 153341495) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is [(3Z,5Z,7E)-7-chloronona-3,5,7-trien-4-yl]urea.

Molecular Properties

Compound Name[(3Z,5Z,7E)-7-chloronona-3,5,7-trien-4-yl]urea
PubChem CID153341495
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name[(3Z,5Z,7E)-7-chloronona-3,5,7-trien-4-yl]urea
SMILESC/C=C(Cl)\C=C/C(=C/CC)NC(N)=O
InChIInChI=1S/C10H15ClN2O/c1-3-5-9(13-10(12)14)7-6-8(11)4-2/h4-7H,3H2,1-2H3,(H3,12,13,14)/b7-6-,8-4+,9-5-
InChIKeyJZNROXQYDIMKKE-ZEELDGCASA-N
XLogP2.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3Z,5Z,7E)-7-chloronona-3,5,7-trien-4-yl]urea?
The IUPAC name of [(3Z,5Z,7E)-7-chloronona-3,5,7-trien-4-yl]urea (CID 153341495) is [(3Z,5Z,7E)-7-chloronona-3,5,7-trien-4-yl]urea.
What is the SMILES notation for [(3Z,5Z,7E)-7-chloronona-3,5,7-trien-4-yl]urea?
The canonical SMILES for [(3Z,5Z,7E)-7-chloronona-3,5,7-trien-4-yl]urea is C/C=C(Cl)\C=C/C(=C/CC)NC(N)=O.
What is the InChIKey of [(3Z,5Z,7E)-7-chloronona-3,5,7-trien-4-yl]urea?
The InChIKey is JZNROXQYDIMKKE-ZEELDGCASA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-3-5-9(13-10(12)14)7-6-8(11)4-2/h4-7H,3H2,1-2H3,(H3,12,13,14)/b7-6-,8-4+,9-5-.
What are the key properties of [(3Z,5Z,7E)-7-chloronona-3,5,7-trien-4-yl]urea?
[(3Z,5Z,7E)-7-chloronona-3,5,7-trien-4-yl]urea has a molecular weight of 214.70 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z,5Z,7E)-7-chloronona-3,5,7-trien-4-yl]urea is sourced from PubChem (CID 153341495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).