1-cyclohexyl-4-diethoxyphosphoryl-5-imino-2H-pyrrol-3-ol

C14H25N2O4P — CID 135499809

IUPAC1-cyclohexyl-4-diethoxyphosphoryl-5-imino-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(P(=O)(OCC)OCC)=C(O)CN1C1CCCCC1
InChIInChI=1S/C14H25N2O4P/c1-3-19-21(18,20-4-2)13-12(17)10-16(14(13)15)11-8-6-5-7-9-11/h11,15,17H,3-10H2,1-2H3/b15-14-
InChIKeyOKTZACPKCNCUHV-PFONDFGASA-N
MW316.34 g/mol
LogP3.65
Rot. Bonds6

About 1-cyclohexyl-4-diethoxyphosphoryl-5-imino-2H-pyrrol-3-ol

1-cyclohexyl-4-diethoxyphosphoryl-5-imino-2H-pyrrol-3-ol (PubChem CID 135499809) has the molecular formula C14H25N2O4P and a molecular weight of 316.34 g/mol. Its IUPAC name is 1-cyclohexyl-4-diethoxyphosphoryl-5-imino-2H-pyrrol-3-ol.

Molecular Properties

Compound Name1-cyclohexyl-4-diethoxyphosphoryl-5-imino-2H-pyrrol-3-ol
PubChem CID135499809
Molecular FormulaC14H25N2O4P
Molecular Weight316.34 g/mol
Exact Mass316.16
IUPAC Name1-cyclohexyl-4-diethoxyphosphoryl-5-imino-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(P(=O)(OCC)OCC)=C(O)CN1C1CCCCC1
InChIInChI=1S/C14H25N2O4P/c1-3-19-21(18,20-4-2)13-12(17)10-16(14(13)15)11-8-6-5-7-9-11/h11,15,17H,3-10H2,1-2H3/b15-14-
InChIKeyOKTZACPKCNCUHV-PFONDFGASA-N
XLogP3.65
TPSA82.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexyl-3H-isoindol-1-imine;hydrobromide
CID 118268286
1-cyclopentyl-5-imino-4-(4-phenyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol
CID 135653004
(6E)-4-cyclopentyl-6-ethylidene-5-imino-1-methylpiperazin-2-one;ethane
CID 171081857
[cyclohexyl(ethoxy)phosphoryl]cyclohexane;[cyclopentyl(ethoxy)phosphoryl]cyclopentane
CID 87645373
1-cyclohexyl-3-iminopyrrolidin-2-one
CID 6920742
1-cyclopentyl-2-imino-4,6,6-trimethyl-3-methylidene-1,4-diazepan-5-one
CID 89028261
1-cyclohexyl-2-methylideneaziridine
CID 10510915
[ethoxy(ethyl)phosphoryl]cyclohexane
CID 66729675
ethyl (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 94077568
diethyl 1,3-dicyclohexyl-2,4-dihydropyrimidine-5,6-dicarboxylate
CID 56963014
(4aS,8aR)-2-diethoxyphosphoryl-3-methyl-4a,5,6,7,8,8a-hexahydroquinoxaline
CID 11849888
1-cycloheptyl-3-ethylpiperazine-2,5-dione
CID 64960288

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-diethoxyphosphoryl-5-imino-2H-pyrrol-3-ol?
The IUPAC name of 1-cyclohexyl-4-diethoxyphosphoryl-5-imino-2H-pyrrol-3-ol (CID 135499809) is 1-cyclohexyl-4-diethoxyphosphoryl-5-imino-2H-pyrrol-3-ol.
What is the SMILES notation for 1-cyclohexyl-4-diethoxyphosphoryl-5-imino-2H-pyrrol-3-ol?
The canonical SMILES for 1-cyclohexyl-4-diethoxyphosphoryl-5-imino-2H-pyrrol-3-ol is [H]/N=C1/C(P(=O)(OCC)OCC)=C(O)CN1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-diethoxyphosphoryl-5-imino-2H-pyrrol-3-ol?
The InChIKey is OKTZACPKCNCUHV-PFONDFGASA-N. The full InChI is InChI=1S/C14H25N2O4P/c1-3-19-21(18,20-4-2)13-12(17)10-16(14(13)15)11-8-6-5-7-9-11/h11,15,17H,3-10H2,1-2H3/b15-14-.
What are the key properties of 1-cyclohexyl-4-diethoxyphosphoryl-5-imino-2H-pyrrol-3-ol?
1-cyclohexyl-4-diethoxyphosphoryl-5-imino-2H-pyrrol-3-ol has a molecular weight of 316.34 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-diethoxyphosphoryl-5-imino-2H-pyrrol-3-ol is sourced from PubChem (CID 135499809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).