(1-amino-8-methyl-7-oxonon-8-enyl)phosphonic acid

C10H20NO4P — CID 87630987

IUPAC(1-amino-8-methyl-7-oxonon-8-enyl)phosphonic acid
SMILESC=C(C)C(=O)CCCCCC(N)P(=O)(O)O
InChIInChI=1S/C10H20NO4P/c1-8(2)9(12)6-4-3-5-7-10(11)16(13,14)15/h10H,1,3-7,11H2,2H3,(H2,13,14,15)
InChIKeyVEBNZIJELNQHRH-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.54
Rot. Bonds8

About (1-amino-8-methyl-7-oxonon-8-enyl)phosphonic acid

(1-amino-8-methyl-7-oxonon-8-enyl)phosphonic acid (PubChem CID 87630987) has the molecular formula C10H20NO4P and a molecular weight of 249.25 g/mol. Its IUPAC name is (1-amino-8-methyl-7-oxonon-8-enyl)phosphonic acid.

Molecular Properties

Compound Name(1-amino-8-methyl-7-oxonon-8-enyl)phosphonic acid
PubChem CID87630987
Molecular FormulaC10H20NO4P
Molecular Weight249.25 g/mol
Exact Mass249.11
IUPAC Name(1-amino-8-methyl-7-oxonon-8-enyl)phosphonic acid
SMILESC=C(C)C(=O)CCCCCC(N)P(=O)(O)O
InChIInChI=1S/C10H20NO4P/c1-8(2)9(12)6-4-3-5-7-10(11)16(13,14)15/h10H,1,3-7,11H2,2H3,(H2,13,14,15)
InChIKeyVEBNZIJELNQHRH-UHFFFAOYSA-N
XLogP1.54
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(13-methyl-2,12-dioxotetradec-13-enyl)phosphonic acid
CID 158076579
2-methyltridec-1-en-3-one
CID 91110358
2-methylhentriacont-1-en-3-one
CID 153436335
2-methylnonadec-1-en-3-one
CID 150628128
ethane;2-methyldodec-1-en-3-one
CID 143443601
(5-amino-5-phosphonopentanoyl)-trihydroxyphosphanium
CID 57287731
(8-methyl-7-oxonon-8-en-2-yl) acetate
CID 118877704
2-methyloct-1-en-3-one
CID 12585814
10-methyl-9-oxoundec-10-enal
CID 173103991
propan-2-yl 8-methyl-7-oxonon-8-enoate
CID 58451728
2-amino-9-methyl-8-methylidenedec-9-enoic acid
CID 147476332
[(1S)-1-aminopropyl]phosphonic acid
CID 6994862

Frequently Asked Questions

What is the IUPAC name of (1-amino-8-methyl-7-oxonon-8-enyl)phosphonic acid?
The IUPAC name of (1-amino-8-methyl-7-oxonon-8-enyl)phosphonic acid (CID 87630987) is (1-amino-8-methyl-7-oxonon-8-enyl)phosphonic acid.
What is the SMILES notation for (1-amino-8-methyl-7-oxonon-8-enyl)phosphonic acid?
The canonical SMILES for (1-amino-8-methyl-7-oxonon-8-enyl)phosphonic acid is C=C(C)C(=O)CCCCCC(N)P(=O)(O)O.
What is the InChIKey of (1-amino-8-methyl-7-oxonon-8-enyl)phosphonic acid?
The InChIKey is VEBNZIJELNQHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO4P/c1-8(2)9(12)6-4-3-5-7-10(11)16(13,14)15/h10H,1,3-7,11H2,2H3,(H2,13,14,15).
What are the key properties of (1-amino-8-methyl-7-oxonon-8-enyl)phosphonic acid?
(1-amino-8-methyl-7-oxonon-8-enyl)phosphonic acid has a molecular weight of 249.25 g/mol, XLogP of 1.54, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-8-methyl-7-oxonon-8-enyl)phosphonic acid is sourced from PubChem (CID 87630987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).