phosphanyl N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]carbamate

C9H14NO2P — CID 139323610

IUPACphosphanyl N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]carbamate
SMILESC=C/C(=C\C=C/C)CNC(=O)OP
InChIInChI=1S/C9H14NO2P/c1-3-5-6-8(4-2)7-10-9(11)12-13/h3-6H,2,7,13H2,1H3,(H,10,11)/b5-3-,8-6+
InChIKeyPTFAOHLULRSUQQ-CUKJDEOPSA-N
MW199.19 g/mol
LogP2.19
Rot. Bonds4

About phosphanyl N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]carbamate

phosphanyl N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]carbamate (PubChem CID 139323610) has the molecular formula C9H14NO2P and a molecular weight of 199.19 g/mol. Its IUPAC name is phosphanyl N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]carbamate.

Molecular Properties

Compound Namephosphanyl N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]carbamate
PubChem CID139323610
Molecular FormulaC9H14NO2P
Molecular Weight199.19 g/mol
Exact Mass199.08
IUPAC Namephosphanyl N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]carbamate
SMILESC=C/C(=C\C=C/C)CNC(=O)OP
InChIInChI=1S/C9H14NO2P/c1-3-5-6-8(4-2)7-10-9(11)12-13/h3-6H,2,7,13H2,1H3,(H,10,11)/b5-3-,8-6+
InChIKeyPTFAOHLULRSUQQ-CUKJDEOPSA-N
XLogP2.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]prop-2-enamide
CID 145160973
1-(4-chlorophenyl)-3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]urea
CID 135231061
ethane;N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine
CID 144617318
N-[(2E)-2-ethenylpenta-2,4-dienyl]propanamide
CID 144680343
[(2E,4Z)-2-ethenylhexa-2,4-dienyl] formate
CID 89020772
ethane;(2E,4Z)-2-ethenylhexa-2,4-dien-1-amine
CID 143793219
(2E,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]hepta-2,4,6-trien-3-amine
CID 144567839
1-[(2E,4E)-5-tert-butylsulfinamoylhexa-2,4-dien-3-yl]-3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]urea
CID 167083678
(3Z,5Z)-3-ethenylhepta-3,5-dien-1-amine
CID 88579233
[(2E,4Z)-2-ethenylhexa-2,4-dienyl] thiohypochlorite
CID 153339188
2-[[(2E,4Z)-2-ethenylhexa-2,4-dienyl]amino]-4-nitrosobutan-1-ol
CID 169259650
N-[(2E)-2-ethenylpenta-2,4-dienyl]ethanethioamide
CID 143081819

Frequently Asked Questions

What is the IUPAC name of phosphanyl N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]carbamate?
The IUPAC name of phosphanyl N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]carbamate (CID 139323610) is phosphanyl N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]carbamate.
What is the SMILES notation for phosphanyl N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]carbamate?
The canonical SMILES for phosphanyl N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]carbamate is C=C/C(=C\C=C/C)CNC(=O)OP.
What is the InChIKey of phosphanyl N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]carbamate?
The InChIKey is PTFAOHLULRSUQQ-CUKJDEOPSA-N. The full InChI is InChI=1S/C9H14NO2P/c1-3-5-6-8(4-2)7-10-9(11)12-13/h3-6H,2,7,13H2,1H3,(H,10,11)/b5-3-,8-6+.
What are the key properties of phosphanyl N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]carbamate?
phosphanyl N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]carbamate has a molecular weight of 199.19 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyl N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]carbamate is sourced from PubChem (CID 139323610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).