N,N-bis(prop-2-enyl)nitramide

C6H10N2O2 — CID 87928806

IUPACN,N-bis(prop-2-enyl)nitramide
SMILESC=CCN(CC=C)[N+](=O)[O-]
InChIInChI=1S/C6H10N2O2/c1-3-5-7(6-4-2)8(9)10/h3-4H,1-2,5-6H2
InChIKeyDOZSLJPRSLMAOT-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.85
Rot. Bonds5

About N,N-bis(prop-2-enyl)nitramide

N,N-bis(prop-2-enyl)nitramide (PubChem CID 87928806) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)nitramide.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)nitramide
PubChem CID87928806
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC NameN,N-bis(prop-2-enyl)nitramide
SMILESC=CCN(CC=C)[N+](=O)[O-]
InChIInChI=1S/C6H10N2O2/c1-3-5-7(6-4-2)8(9)10/h3-4H,1-2,5-6H2
InChIKeyDOZSLJPRSLMAOT-UHFFFAOYSA-N
XLogP0.85
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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-bis(prop-2-enyl)nitramide?
The IUPAC name of N,N-bis(prop-2-enyl)nitramide (CID 87928806) is N,N-bis(prop-2-enyl)nitramide.
What is the SMILES notation for N,N-bis(prop-2-enyl)nitramide?
The canonical SMILES for N,N-bis(prop-2-enyl)nitramide is C=CCN(CC=C)[N+](=O)[O-].
What is the InChIKey of N,N-bis(prop-2-enyl)nitramide?
The InChIKey is DOZSLJPRSLMAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-3-5-7(6-4-2)8(9)10/h3-4H,1-2,5-6H2.
What are the key properties of N,N-bis(prop-2-enyl)nitramide?
N,N-bis(prop-2-enyl)nitramide has a molecular weight of 142.16 g/mol, XLogP of 0.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)nitramide is sourced from PubChem (CID 87928806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).