N-but-3-en-2-yl-N-oxidoaniline

C10H12NO- — CID 88797777

IUPACN-but-3-en-2-yl-N-oxidoaniline
SMILESC=CC(C)N([O-])c1ccccc1
InChIInChI=1S/C10H12NO/c1-3-9(2)11(12)10-7-5-4-6-8-10/h3-9H,1H2,2H3/q-1
InChIKeyGVCJPGXHHRMMHS-UHFFFAOYSA-N
MW162.21 g/mol
LogP2.57
Rot. Bonds3

About N-but-3-en-2-yl-N-oxidoaniline

N-but-3-en-2-yl-N-oxidoaniline (PubChem CID 88797777) has the molecular formula C10H12NO- and a molecular weight of 162.21 g/mol. Its IUPAC name is N-but-3-en-2-yl-N-oxidoaniline.

Molecular Properties

Compound NameN-but-3-en-2-yl-N-oxidoaniline
PubChem CID88797777
Molecular FormulaC10H12NO-
Molecular Weight162.21 g/mol
Exact Mass162.09
IUPAC NameN-but-3-en-2-yl-N-oxidoaniline
SMILESC=CC(C)N([O-])c1ccccc1
InChIInChI=1S/C10H12NO/c1-3-9(2)11(12)10-7-5-4-6-8-10/h3-9H,1H2,2H3/q-1
InChIKeyGVCJPGXHHRMMHS-UHFFFAOYSA-N
XLogP2.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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(2R,3R)-2-N,2-N,3-N,3-N-tetraphenylbutane-2,3-diamine
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N-ethyl-N-pent-1-en-3-ylaniline
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2-ethenyl-N-phenyl-N-propan-2-ylaniline
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N-[(2R)-but-3-en-2-yl]-N-(4-methoxyphenyl)benzamide
CID 12035937
N-phenyl-N-[2-[1-(N-phenylanilino)but-3-en-2-yloxy]but-3-enyl]aniline
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1-ethenylsilyl-N,N'-dimethyl-N,N'-diphenylmethanediamine
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Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-N-oxidoaniline?
The IUPAC name of N-but-3-en-2-yl-N-oxidoaniline (CID 88797777) is N-but-3-en-2-yl-N-oxidoaniline.
What is the SMILES notation for N-but-3-en-2-yl-N-oxidoaniline?
The canonical SMILES for N-but-3-en-2-yl-N-oxidoaniline is C=CC(C)N([O-])c1ccccc1.
What is the InChIKey of N-but-3-en-2-yl-N-oxidoaniline?
The InChIKey is GVCJPGXHHRMMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12NO/c1-3-9(2)11(12)10-7-5-4-6-8-10/h3-9H,1H2,2H3/q-1.
What are the key properties of N-but-3-en-2-yl-N-oxidoaniline?
N-but-3-en-2-yl-N-oxidoaniline has a molecular weight of 162.21 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-N-oxidoaniline is sourced from PubChem (CID 88797777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).