[3-(4-ethanimidoylphenyl)cyclopentyl]methyl dihydrogen phosphite

C14H20NO3P — CID 142527939

IUPAC[3-(4-ethanimidoylphenyl)cyclopentyl]methyl dihydrogen phosphite
SMILES[H]/N=C(\C)c1ccc(C2CCC(COP(O)O)C2)cc1
InChIInChI=1S/C14H20NO3P/c1-10(15)12-4-6-13(7-5-12)14-3-2-11(8-14)9-18-19(16)17/h4-7,11,14-17H,2-3,8-9H2,1H3/b15-10+
InChIKeyKDBIHNCYTQHIAG-XNTDXEJSSA-N
MW281.29 g/mol
LogP3.19
Rot. Bonds5

About [3-(4-ethanimidoylphenyl)cyclopentyl]methyl dihydrogen phosphite

[3-(4-ethanimidoylphenyl)cyclopentyl]methyl dihydrogen phosphite (PubChem CID 142527939) has the molecular formula C14H20NO3P and a molecular weight of 281.29 g/mol. Its IUPAC name is [3-(4-ethanimidoylphenyl)cyclopentyl]methyl dihydrogen phosphite.

Molecular Properties

Compound Name[3-(4-ethanimidoylphenyl)cyclopentyl]methyl dihydrogen phosphite
PubChem CID142527939
Molecular FormulaC14H20NO3P
Molecular Weight281.29 g/mol
Exact Mass281.12
IUPAC Name[3-(4-ethanimidoylphenyl)cyclopentyl]methyl dihydrogen phosphite
SMILES[H]/N=C(\C)c1ccc(C2CCC(COP(O)O)C2)cc1
InChIInChI=1S/C14H20NO3P/c1-10(15)12-4-6-13(7-5-12)14-3-2-11(8-14)9-18-19(16)17/h4-7,11,14-17H,2-3,8-9H2,1H3/b15-10+
InChIKeyKDBIHNCYTQHIAG-XNTDXEJSSA-N
XLogP3.19
TPSA73.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methane;2-[3-[4-(methylamino)phenyl]cyclopentyl]ethanimidamide
CID 158688856
[1-amino-3-[4-[(E)-N-(cyclopropylmethoxy)-C-methylcarbonimidoyl]phenyl]cyclopentyl]methyl dihydrogen phosphite
CID 137496685
[(1S,3R)-3-(4-methoxyphenyl)cyclopentyl]methyl carbamate
CID 143710570
4-ethanimidoylbenzenecarboximidamide
CID 148687988
8-(4-ethanimidoylphenyl)-3-oxa-1-azaspiro[4.4]nonan-2-one
CID 137496679
[(1S,3R)-3-(4-bromophenyl)cyclopentyl]methanol
CID 138467946
1-methyl-4-[3-[3-[3-(4-methylphenyl)cyclopentyl]propyl]cyclopentyl]benzene
CID 58122658
(4-cyanophenyl) 4-[(1R,3R)-3-propylcyclopentyl]benzoate
CID 6999152
[4-[(1S)-3-ethylcyclopentyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 70824841
ethane;1-phenylethanimine
CID 91121262
[3-(4-ethylphenyl)cyclopentyl]methanamine
CID 82282659
2-[3-(4-methylphenyl)cyclopentyl]ethanamine
CID 82282657

Frequently Asked Questions

What is the IUPAC name of [3-(4-ethanimidoylphenyl)cyclopentyl]methyl dihydrogen phosphite?
The IUPAC name of [3-(4-ethanimidoylphenyl)cyclopentyl]methyl dihydrogen phosphite (CID 142527939) is [3-(4-ethanimidoylphenyl)cyclopentyl]methyl dihydrogen phosphite.
What is the SMILES notation for [3-(4-ethanimidoylphenyl)cyclopentyl]methyl dihydrogen phosphite?
The canonical SMILES for [3-(4-ethanimidoylphenyl)cyclopentyl]methyl dihydrogen phosphite is [H]/N=C(\C)c1ccc(C2CCC(COP(O)O)C2)cc1.
What is the InChIKey of [3-(4-ethanimidoylphenyl)cyclopentyl]methyl dihydrogen phosphite?
The InChIKey is KDBIHNCYTQHIAG-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H20NO3P/c1-10(15)12-4-6-13(7-5-12)14-3-2-11(8-14)9-18-19(16)17/h4-7,11,14-17H,2-3,8-9H2,1H3/b15-10+.
What are the key properties of [3-(4-ethanimidoylphenyl)cyclopentyl]methyl dihydrogen phosphite?
[3-(4-ethanimidoylphenyl)cyclopentyl]methyl dihydrogen phosphite has a molecular weight of 281.29 g/mol, XLogP of 3.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethanimidoylphenyl)cyclopentyl]methyl dihydrogen phosphite is sourced from PubChem (CID 142527939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).