N-prop-1-en-2-ylethanimidoyl azide

C5H8N4 — CID 139547217

IUPACN-prop-1-en-2-ylethanimidoyl azide
SMILESC=C(C)/N=C(\C)N=[N+]=[N-]
InChIInChI=1S/C5H8N4/c1-4(2)7-5(3)8-9-6/h1H2,2-3H3/b7-5+
InChIKeyABBNIUAANXFSNO-FNORWQNLSA-N
MW124.15 g/mol
LogP2.25
Rot. Bonds1

About N-prop-1-en-2-ylethanimidoyl azide

N-prop-1-en-2-ylethanimidoyl azide (PubChem CID 139547217) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is N-prop-1-en-2-ylethanimidoyl azide.

Molecular Properties

Compound NameN-prop-1-en-2-ylethanimidoyl azide
PubChem CID139547217
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC NameN-prop-1-en-2-ylethanimidoyl azide
SMILESC=C(C)/N=C(\C)N=[N+]=[N-]
InChIInChI=1S/C5H8N4/c1-4(2)7-5(3)8-9-6/h1H2,2-3H3/b7-5+
InChIKeyABBNIUAANXFSNO-FNORWQNLSA-N
XLogP2.25
TPSA61.12 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-azidododec-1-ene
CID 150968655
2-azidoprop-2-enal
CID 149436796
methyl 2-methoxy-N-prop-1-en-2-ylprop-2-enimidate
CID 155687621
3,4-dimethyl-N-prop-1-en-2-ylpent-3-en-2-imine
CID 144835890
(E)-2-azido-4,4-dimethylpent-2-ene
CID 134986194
(Z)-3-methyl-N-prop-1-en-2-ylpent-3-en-2-imine
CID 142024841
2-prop-1-en-2-yliminopropanal
CID 144727018
N'-(N'-prop-1-en-2-ylcarbamimidoyl)ethanimidamide
CID 91589459
3-azido-2-diethoxyphosphoryl-4-methylpenta-1,3-diene
CID 14941296
2-amino-N'-prop-1-en-2-ylethanimidamide
CID 126539608
CID 88736476
CID 88736476
2-fluoro-N-prop-1-en-2-ylprop-2-enimidoyl bromide
CID 145449100

Frequently Asked Questions

What is the IUPAC name of N-prop-1-en-2-ylethanimidoyl azide?
The IUPAC name of N-prop-1-en-2-ylethanimidoyl azide (CID 139547217) is N-prop-1-en-2-ylethanimidoyl azide.
What is the SMILES notation for N-prop-1-en-2-ylethanimidoyl azide?
The canonical SMILES for N-prop-1-en-2-ylethanimidoyl azide is C=C(C)/N=C(\C)N=[N+]=[N-].
What is the InChIKey of N-prop-1-en-2-ylethanimidoyl azide?
The InChIKey is ABBNIUAANXFSNO-FNORWQNLSA-N. The full InChI is InChI=1S/C5H8N4/c1-4(2)7-5(3)8-9-6/h1H2,2-3H3/b7-5+.
What are the key properties of N-prop-1-en-2-ylethanimidoyl azide?
N-prop-1-en-2-ylethanimidoyl azide has a molecular weight of 124.15 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-1-en-2-ylethanimidoyl azide is sourced from PubChem (CID 139547217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).