CID 53356909

C10H18N3O5 — CID 53356909

IUPAC—
SMILESCC1(C)C(CO[N+](=O)[O-])C(C(N)=O)C(C)(C)N1[O]
InChIInChI=1S/C10H18N3O5/c1-9(2)6(5-18-13(16)17)7(8(11)14)10(3,4)12(9)15/h6-7H,5H2,1-4H3,(H2,11,14)
InChIKeyKPOHRFSUYSXHHS-UHFFFAOYSA-N
MW260.27 g/mol
LogP0.13
Rot. Bonds4

About CID 53356909

CID 53356909 (PubChem CID 53356909) has the molecular formula C10H18N3O5 and a molecular weight of 260.27 g/mol.

Molecular Properties

Compound NameCID 53356909
PubChem CID53356909
Molecular FormulaC10H18N3O5
Molecular Weight260.27 g/mol
Exact Mass260.12
IUPAC Name—
SMILESCC1(C)C(CO[N+](=O)[O-])C(C(N)=O)C(C)(C)N1[O]
InChIInChI=1S/C10H18N3O5/c1-9(2)6(5-18-13(16)17)7(8(11)14)10(3,4)12(9)15/h6-7H,5H2,1-4H3,(H2,11,14)
InChIKeyKPOHRFSUYSXHHS-UHFFFAOYSA-N
XLogP0.13
TPSA118.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-hydroxy-2,2,5,5-tetramethyl-4-(nitrooxymethyl)pyrrolidin-3-yl]methyl nitrate
CID 126759936
(4-formamido-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl nitrate
CID 123872105
1-acetyloxy-2,2,6,6-tetramethyl-3-(nitrooxymethyl)piperidine-4-carboxylic acid
CID 85470233
(4,5-diethyl-1-hydroxy-2,2,7,7-tetramethylazepan-3-yl)methyl nitrate
CID 126753011
(3-carbamoyl-2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) nitrate
CID 10220848
[2,2,6,6-tetramethyl-3-(nitrooxymethyl)piperidin-1-yl] 2-methylpropanoate
CID 85470471
(3-carbamoyl-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl) nitrate
CID 10220847
(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl nitrate
CID 141421485
CID 58747656
CID 58747656
[4-(aminomethyl)cyclohexyl]methyl nitrate
CID 22106779
2-(2-amino-2-oxoethyl)sulfanylethyl nitrate
CID 143690826
thiiran-2-ylmethyl nitrate
CID 11194356

Frequently Asked Questions

What is the IUPAC name of CID 53356909?
The IUPAC name of CID 53356909 (CID 53356909) is not available.
What is the SMILES notation for CID 53356909?
The canonical SMILES for CID 53356909 is CC1(C)C(CO[N+](=O)[O-])C(C(N)=O)C(C)(C)N1[O].
What is the InChIKey of CID 53356909?
The InChIKey is KPOHRFSUYSXHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N3O5/c1-9(2)6(5-18-13(16)17)7(8(11)14)10(3,4)12(9)15/h6-7H,5H2,1-4H3,(H2,11,14).
What are the key properties of CID 53356909?
CID 53356909 has a molecular weight of 260.27 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 53356909 is sourced from PubChem (CID 53356909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).