2-[2-ethenyl-1-(phenylmethoxycarbonylamino)cyclopropyl]ethyl-ethoxy-oxophosphanium

C17H23NO4P+ — CID 67206620

IUPAC2-[2-ethenyl-1-(phenylmethoxycarbonylamino)cyclopropyl]ethyl-ethoxy-oxophosphanium
SMILESC=CC1CC1(CC[P+](=O)OCC)NC(=O)OCc1ccccc1
InChIInChI=1S/C17H22NO4P/c1-3-15-12-17(15,10-11-23(20)22-4-2)18-16(19)21-13-14-8-6-5-7-9-14/h3,5-9,15H,1,4,10-13H2,2H3/p+1
InChIKeyOITRXMQWVVJMOS-UHFFFAOYSA-O
MW336.35 g/mol
LogP4.03
Rot. Bonds9

About 2-[2-ethenyl-1-(phenylmethoxycarbonylamino)cyclopropyl]ethyl-ethoxy-oxophosphanium

2-[2-ethenyl-1-(phenylmethoxycarbonylamino)cyclopropyl]ethyl-ethoxy-oxophosphanium (PubChem CID 67206620) has the molecular formula C17H23NO4P+ and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-[2-ethenyl-1-(phenylmethoxycarbonylamino)cyclopropyl]ethyl-ethoxy-oxophosphanium.

Molecular Properties

Compound Name2-[2-ethenyl-1-(phenylmethoxycarbonylamino)cyclopropyl]ethyl-ethoxy-oxophosphanium
PubChem CID67206620
Molecular FormulaC17H23NO4P+
Molecular Weight336.35 g/mol
Exact Mass336.14
IUPAC Name2-[2-ethenyl-1-(phenylmethoxycarbonylamino)cyclopropyl]ethyl-ethoxy-oxophosphanium
SMILESC=CC1CC1(CC[P+](=O)OCC)NC(=O)OCc1ccccc1
InChIInChI=1S/C17H22NO4P/c1-3-15-12-17(15,10-11-23(20)22-4-2)18-16(19)21-13-14-8-6-5-7-9-14/h3,5-9,15H,1,4,10-13H2,2H3/p+1
InChIKeyOITRXMQWVVJMOS-UHFFFAOYSA-O
XLogP4.03
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-ethenyl-1-(phenylmethoxycarbonylamino)cyclopropyl]phenyl]-ethoxy-oxophosphanium
CID 66770266
benzyl N-[2-ethenyl-1-[[ethoxy(methyl)phosphoryl]carbonylamino]cyclopropyl]carbamate
CID 87142650
butan-2-yl-[2-ethenyl-1-(phenylmethoxycarbonylamino)cyclopropyl]phosphinic acid
CID 141136857
benzyl N-[(1S,2S)-1-[butyl(ethoxy)phosphoryl]-2-ethenylcyclopropyl]carbamate;[(1S,2S)-2-ethenyl-1-(phenylmethoxycarbonylamino)cyclopropyl]-ethoxyphosphinic acid
CID 158212071
benzyl N-[1-[(2-chloro-6-fluorophenyl)methyl-ethoxyphosphoryl]-2-ethenylcyclopropyl]carbamate
CID 66770344
benzyl N-(1-carbamoyl-2-phenylcyclopropyl)carbamate
CID 143923916
methyl 2-[2-(2-azidoethyl)-1-(phenylmethoxycarbonylamino)cyclopropyl]acetate
CID 72975144
methyl 2-[(1S,2R)-2-(2-azidoethyl)-1-(phenylmethoxycarbonylamino)cyclopropyl]acetate
CID 11473028
2,3-dimethyl-1-(phenylmethoxycarbonylamino)cyclobutane-1-carboxylic acid
CID 131162341
benzyl N-[(2S)-2-ethenylcyclohexyl]carbamate
CID 144785907
benzyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate
CID 171107393
[(2R)-2-[(1R,2S)-2-(phenylmethoxycarbonylamino)-2-prop-2-enylcyclopentyl]propyl] acetate
CID 177462736

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethenyl-1-(phenylmethoxycarbonylamino)cyclopropyl]ethyl-ethoxy-oxophosphanium?
The IUPAC name of 2-[2-ethenyl-1-(phenylmethoxycarbonylamino)cyclopropyl]ethyl-ethoxy-oxophosphanium (CID 67206620) is 2-[2-ethenyl-1-(phenylmethoxycarbonylamino)cyclopropyl]ethyl-ethoxy-oxophosphanium.
What is the SMILES notation for 2-[2-ethenyl-1-(phenylmethoxycarbonylamino)cyclopropyl]ethyl-ethoxy-oxophosphanium?
The canonical SMILES for 2-[2-ethenyl-1-(phenylmethoxycarbonylamino)cyclopropyl]ethyl-ethoxy-oxophosphanium is C=CC1CC1(CC[P+](=O)OCC)NC(=O)OCc1ccccc1.
What is the InChIKey of 2-[2-ethenyl-1-(phenylmethoxycarbonylamino)cyclopropyl]ethyl-ethoxy-oxophosphanium?
The InChIKey is OITRXMQWVVJMOS-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H22NO4P/c1-3-15-12-17(15,10-11-23(20)22-4-2)18-16(19)21-13-14-8-6-5-7-9-14/h3,5-9,15H,1,4,10-13H2,2H3/p+1.
What are the key properties of 2-[2-ethenyl-1-(phenylmethoxycarbonylamino)cyclopropyl]ethyl-ethoxy-oxophosphanium?
2-[2-ethenyl-1-(phenylmethoxycarbonylamino)cyclopropyl]ethyl-ethoxy-oxophosphanium has a molecular weight of 336.35 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethenyl-1-(phenylmethoxycarbonylamino)cyclopropyl]ethyl-ethoxy-oxophosphanium is sourced from PubChem (CID 67206620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).