N-prop-2-enyl-N-pyridin-2-ylnitramide

C8H9N3O2 — CID 156698084

IUPACN-prop-2-enyl-N-pyridin-2-ylnitramide
SMILESC=CCN(c1ccccn1)[N+](=O)[O-]
InChIInChI=1S/C8H9N3O2/c1-2-7-10(11(12)13)8-5-3-4-6-9-8/h2-6H,1,7H2
InChIKeyNVPLGRRDJDYYPA-UHFFFAOYSA-N
MW179.18 g/mol
LogP1.27
Rot. Bonds4

About N-prop-2-enyl-N-pyridin-2-ylnitramide

N-prop-2-enyl-N-pyridin-2-ylnitramide (PubChem CID 156698084) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is N-prop-2-enyl-N-pyridin-2-ylnitramide.

Molecular Properties

Compound NameN-prop-2-enyl-N-pyridin-2-ylnitramide
PubChem CID156698084
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC NameN-prop-2-enyl-N-pyridin-2-ylnitramide
SMILESC=CCN(c1ccccn1)[N+](=O)[O-]
InChIInChI=1S/C8H9N3O2/c1-2-7-10(11(12)13)8-5-3-4-6-9-8/h2-6H,1,7H2
InChIKeyNVPLGRRDJDYYPA-UHFFFAOYSA-N
XLogP1.27
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

N-cyclopropyl-N-[(2-nitrophenyl)methyl]pyridin-2-amine
CID 133397265
2-nitro-N-phenyl-N-prop-2-enylaniline
CID 10967040
N,N-bis(prop-2-enyl)-N'-pyridin-2-ylmethanimidamide
CID 177439354
2-[(2-nitro-3-pyridinyl)oxy]-N,N-bis(prop-2-enyl)acetamide
CID 52890111
2-prop-2-enylpyridine
CID 3015241
nickel(2+);2-pyridin-2-ylpyridine;nitrate
CID 22572268
4-N-benzyl-6-N-ethyl-5-nitro-6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 23478331
2-(N-sulfinatoanilino)pyridine
CID 91475671
N,N-bis(sulfanyl)pyridin-2-amine
CID 89305053
N-methyl-N-pyridin-2-ylpyridin-2-amine
CID 14365053
5-nitro-N-[(4-phenylphenyl)methyl]-N-prop-2-enylpyridin-2-amine
CID 67719635
CID 66669094
CID 66669094

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-pyridin-2-ylnitramide?
The IUPAC name of N-prop-2-enyl-N-pyridin-2-ylnitramide (CID 156698084) is N-prop-2-enyl-N-pyridin-2-ylnitramide.
What is the SMILES notation for N-prop-2-enyl-N-pyridin-2-ylnitramide?
The canonical SMILES for N-prop-2-enyl-N-pyridin-2-ylnitramide is C=CCN(c1ccccn1)[N+](=O)[O-].
What is the InChIKey of N-prop-2-enyl-N-pyridin-2-ylnitramide?
The InChIKey is NVPLGRRDJDYYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-2-7-10(11(12)13)8-5-3-4-6-9-8/h2-6H,1,7H2.
What are the key properties of N-prop-2-enyl-N-pyridin-2-ylnitramide?
N-prop-2-enyl-N-pyridin-2-ylnitramide has a molecular weight of 179.18 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-pyridin-2-ylnitramide is sourced from PubChem (CID 156698084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).