(1Z)-1-(methylidene-λ3-iodanyl)buta-1,3-dien-1-amine

C5H8IN — CID 163793898

IUPAC(1Z)-1-(methylidene-λ3-iodanyl)buta-1,3-dien-1-amine
SMILESC=C/C=C(/N)I=C
InChIInChI=1S/C5H8IN/c1-3-4-5(7)6-2/h3-4H,1-2,7H2/b5-4+
InChIKeyMZCULQGFDVUUJD-SNAWJCMRSA-N
MW209.03 g/mol
LogP1.38
Rot. Bonds2

About (1Z)-1-(methylidene-λ3-iodanyl)buta-1,3-dien-1-amine

(1Z)-1-(methylidene-λ3-iodanyl)buta-1,3-dien-1-amine (PubChem CID 163793898) has the molecular formula C5H8IN and a molecular weight of 209.03 g/mol. Its IUPAC name is (1Z)-1-(methylidene-λ3-iodanyl)buta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-1-(methylidene-λ3-iodanyl)buta-1,3-dien-1-amine
PubChem CID163793898
Molecular FormulaC5H8IN
Molecular Weight209.03 g/mol
Exact Mass208.97
IUPAC Name(1Z)-1-(methylidene-λ3-iodanyl)buta-1,3-dien-1-amine
SMILESC=C/C=C(/N)I=C
InChIInChI=1S/C5H8IN/c1-3-4-5(7)6-2/h3-4H,1-2,7H2/b5-4+
InChIKeyMZCULQGFDVUUJD-SNAWJCMRSA-N
XLogP1.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.03
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(methylidene-λ3-iodanyl)buta-1,3-dien-1-amine?
The IUPAC name of (1Z)-1-(methylidene-λ3-iodanyl)buta-1,3-dien-1-amine (CID 163793898) is (1Z)-1-(methylidene-λ3-iodanyl)buta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-1-(methylidene-λ3-iodanyl)buta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-1-(methylidene-λ3-iodanyl)buta-1,3-dien-1-amine is C=C/C=C(/N)I=C.
What is the InChIKey of (1Z)-1-(methylidene-λ3-iodanyl)buta-1,3-dien-1-amine?
The InChIKey is MZCULQGFDVUUJD-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H8IN/c1-3-4-5(7)6-2/h3-4H,1-2,7H2/b5-4+.
What are the key properties of (1Z)-1-(methylidene-λ3-iodanyl)buta-1,3-dien-1-amine?
(1Z)-1-(methylidene-λ3-iodanyl)buta-1,3-dien-1-amine has a molecular weight of 209.03 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(methylidene-λ3-iodanyl)buta-1,3-dien-1-amine is sourced from PubChem (CID 163793898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).