N-but-3-en-2-yl-3-iodoaniline

C10H12IN — CID 107906518

IUPACN-but-3-en-2-yl-3-iodoaniline
SMILESC=CC(C)Nc1cccc(I)c1
InChIInChI=1S/C10H12IN/c1-3-8(2)12-10-6-4-5-9(11)7-10/h3-8,12H,1H2,2H3
InChIKeyLYBZPHIGZKDYTR-UHFFFAOYSA-N
MW273.12 g/mol
LogP3.28
Rot. Bonds3

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

N-but-3-en-2-yl-3-iodoaniline (PubChem CID 107906518) has the molecular formula C10H12IN and a molecular weight of 273.12 g/mol. Its IUPAC name is N-but-3-en-2-yl-3-iodoaniline.

Molecular Properties

Compound NameN-but-3-en-2-yl-3-iodoaniline
PubChem CID107906518
Molecular FormulaC10H12IN
Molecular Weight273.12 g/mol
Exact Mass273.00
IUPAC NameN-but-3-en-2-yl-3-iodoaniline
SMILESC=CC(C)Nc1cccc(I)c1
InChIInChI=1S/C10H12IN/c1-3-8(2)12-10-6-4-5-9(11)7-10/h3-8,12H,1H2,2H3
InChIKeyLYBZPHIGZKDYTR-UHFFFAOYSA-N
XLogP3.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-iodo-N-(3-methoxybutan-2-yl)aniline
CID 115928309
2-bromo-N-but-3-en-2-yl-4-iodoaniline
CID 130499100
N-[1-(2-chlorophenyl)ethyl]-3-iodoaniline
CID 43088325
3-iodo-N-methylaniline
CID 11075306
3-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 43773347
3-iodo-N-[1-(oxan-4-yl)ethyl]aniline
CID 115928305
N-[1-(2-fluorophenyl)propan-2-yl]-3-iodoaniline
CID 114828426
3-N-[(3Z)-hexa-3,5-dien-2-yl]benzene-1,3-diamine
CID 170336207
3-iodo-N-(3-methoxy-2-methylpropyl)aniline
CID 116500847
(2S)-2-hydroxy-N-(3-iodophenyl)propanamide
CID 130653575
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-iodoaniline
CID 43124478
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-iodoaniline
CID 43124494

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-3-iodoaniline?
The IUPAC name of N-but-3-en-2-yl-3-iodoaniline (CID 107906518) is N-but-3-en-2-yl-3-iodoaniline.
What is the SMILES notation for N-but-3-en-2-yl-3-iodoaniline?
The canonical SMILES for N-but-3-en-2-yl-3-iodoaniline is C=CC(C)Nc1cccc(I)c1.
What is the InChIKey of N-but-3-en-2-yl-3-iodoaniline?
The InChIKey is LYBZPHIGZKDYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN/c1-3-8(2)12-10-6-4-5-9(11)7-10/h3-8,12H,1H2,2H3.
What are the key properties of N-but-3-en-2-yl-3-iodoaniline?
N-but-3-en-2-yl-3-iodoaniline has a molecular weight of 273.12 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-3-iodoaniline is sourced from PubChem (CID 107906518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).