N,N-dimethyl-1-nitroprop-1-en-2-amine

C5H10N2O2 — CID 1472416

IUPACN,N-dimethyl-1-nitroprop-1-en-2-amine
SMILESCC(=C[N+](=O)[O-])N(C)C
InChIInChI=1S/C5H10N2O2/c1-5(6(2)3)4-7(8)9/h4H,1-3H3
InChIKeyJKDKRCQFQLHTNV-UHFFFAOYSA-N
MW130.15 g/mol
LogP0.69
Rot. Bonds2

About N,N-dimethyl-1-nitroprop-1-en-2-amine

N,N-dimethyl-1-nitroprop-1-en-2-amine (PubChem CID 1472416) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is N,N-dimethyl-1-nitroprop-1-en-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-nitroprop-1-en-2-amine
PubChem CID1472416
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC NameN,N-dimethyl-1-nitroprop-1-en-2-amine
SMILESCC(=C[N+](=O)[O-])N(C)C
InChIInChI=1S/C5H10N2O2/c1-5(6(2)3)4-7(8)9/h4H,1-3H3
InChIKeyJKDKRCQFQLHTNV-UHFFFAOYSA-N
XLogP0.69
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 50.69
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-nitroprop-1-en-2-amine?
The IUPAC name of N,N-dimethyl-1-nitroprop-1-en-2-amine (CID 1472416) is N,N-dimethyl-1-nitroprop-1-en-2-amine.
What is the SMILES notation for N,N-dimethyl-1-nitroprop-1-en-2-amine?
The canonical SMILES for N,N-dimethyl-1-nitroprop-1-en-2-amine is CC(=C[N+](=O)[O-])N(C)C.
What is the InChIKey of N,N-dimethyl-1-nitroprop-1-en-2-amine?
The InChIKey is JKDKRCQFQLHTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-5(6(2)3)4-7(8)9/h4H,1-3H3.
What are the key properties of N,N-dimethyl-1-nitroprop-1-en-2-amine?
N,N-dimethyl-1-nitroprop-1-en-2-amine has a molecular weight of 130.15 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-nitroprop-1-en-2-amine is sourced from PubChem (CID 1472416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).