1-methyl-3-propylpyrrolidine;nitric acid

C8H18N2O3 — CID 175244949

IUPAC1-methyl-3-propylpyrrolidine;nitric acid
SMILESCCCC1CCN(C)C1.O=[N+]([O-])O
InChIInChI=1S/C8H17N.HNO3/c1-3-4-8-5-6-9(2)7-8;2-1(3)4/h8H,3-7H2,1-2H3;(H,2,3,4)
InChIKeyLJOLXRBLZAKUDE-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.39
Rot. Bonds2

About 1-methyl-3-propylpyrrolidine;nitric acid

1-methyl-3-propylpyrrolidine;nitric acid (PubChem CID 175244949) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-methyl-3-propylpyrrolidine;nitric acid.

Molecular Properties

Compound Name1-methyl-3-propylpyrrolidine;nitric acid
PubChem CID175244949
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name1-methyl-3-propylpyrrolidine;nitric acid
SMILESCCCC1CCN(C)C1.O=[N+]([O-])O
InChIInChI=1S/C8H17N.HNO3/c1-3-4-8-5-6-9(2)7-8;2-1(3)4/h8H,3-7H2,1-2H3;(H,2,3,4)
InChIKeyLJOLXRBLZAKUDE-UHFFFAOYSA-N
XLogP1.39
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methyl-3-propylpyrrolidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 171929200
3-(methoxymethyl)-1-methyl-6-propylazocane
CID 70899502
1-methylpiperidin-4-ol;nitric acid
CID 69230508
2-bromo-2-methyl-1-(3-propylpyrrolidin-1-yl)propan-1-one
CID 114329107
1-methyl-4-(nitromethyl)piperidine
CID 82415768
2-[(3R)-1-methylpyrrolidin-3-yl]ethanethiol
CID 59948989
N-ethyl-N'-[2-(1-methylpyrrolidin-3-yl)ethyl]ethane-1,2-diamine
CID 115206064
3-ethyl-1-methylpyrrolidine;methane
CID 161184146
1-methyl-3-(3-methylbutyl)pyrrolidine
CID 58945066
2-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950
1-ethyl-4-[2-(1-methylpyrrolidin-3-yl)ethyl]piperazine
CID 156559020
3-chloro-5-nitro-2-(3-propylpyrrolidin-1-yl)benzoic acid
CID 107191183

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propylpyrrolidine;nitric acid?
The IUPAC name of 1-methyl-3-propylpyrrolidine;nitric acid (CID 175244949) is 1-methyl-3-propylpyrrolidine;nitric acid.
What is the SMILES notation for 1-methyl-3-propylpyrrolidine;nitric acid?
The canonical SMILES for 1-methyl-3-propylpyrrolidine;nitric acid is CCCC1CCN(C)C1.O=[N+]([O-])O.
What is the InChIKey of 1-methyl-3-propylpyrrolidine;nitric acid?
The InChIKey is LJOLXRBLZAKUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.HNO3/c1-3-4-8-5-6-9(2)7-8;2-1(3)4/h8H,3-7H2,1-2H3;(H,2,3,4).
What are the key properties of 1-methyl-3-propylpyrrolidine;nitric acid?
1-methyl-3-propylpyrrolidine;nitric acid has a molecular weight of 190.24 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propylpyrrolidine;nitric acid is sourced from PubChem (CID 175244949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).