CID 163877214

C11H15I3N- — CID 163877214

IUPAC—
SMILESC=CC1=C(/C=C\C)N(C)C(CI)[I-]C1I
InChIInChI=1S/C11H15I3N/c1-4-6-9-8(5-2)11(13)14-10(7-12)15(9)3/h4-6,10-11H,2,7H2,1,3H3/q-1/b6-4-
InChIKeyMBSQVGGTTXHGBN-XQRVVYSFSA-N
MW541.96 g/mol
LogP0.56
Rot. Bonds3

About CID 163877214

CID 163877214 (PubChem CID 163877214) has the molecular formula C11H15I3N- and a molecular weight of 541.96 g/mol.

Molecular Properties

Compound NameCID 163877214
PubChem CID163877214
Molecular FormulaC11H15I3N-
Molecular Weight541.96 g/mol
Exact Mass541.83
IUPAC Name—
SMILESC=CC1=C(/C=C\C)N(C)C(CI)[I-]C1I
InChIInChI=1S/C11H15I3N/c1-4-6-9-8(5-2)11(13)14-10(7-12)15(9)3/h4-6,10-11H,2,7H2,1,3H3/q-1/b6-4-
InChIKeyMBSQVGGTTXHGBN-XQRVVYSFSA-N
XLogP0.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.96
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-1-ethenyl-2-ethylidene-4,5-bis[(Z)-prop-1-enyl]-3H-pyrrol-3-amine
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5-ethenyl-3,3,6-trimethyl-4-[(Z)-prop-1-enyl]-2,6-dihydropyran
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(3R)-2-ethenyl-3-methyl-1-[(Z)-prop-1-enyl]cyclohexene
CID 145347236
3-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2H-furan-5-one
CID 145190678
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6-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,3,7-trimethyl-5-[(Z)-prop-1-enyl]-3H-azepin-2-one;ethane
CID 142050554
[3,4-bis(ethenyl)-2,5-bis[(Z)-prop-1-enyl]cyclopenta-2,4-dien-1-yl]methanol;ethane
CID 163301264
(2E)-2-[(Z)-but-2-enylidene]-6-ethenyl-1-methyl-3-methylidene-7-[(Z)-prop-1-enyl]azepine
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ethane;1-ethenyl-4-methoxy-3-methyl-2-[(Z)-prop-1-enyl]cyclopentene
CID 171819163
2,4-bis(ethenyl)-1-fluoro-3-methyl-5-[(Z)-prop-1-enyl]pyrrole
CID 143096527
2-ethenyl-4-methyl-3-[(Z)-prop-1-enyl]-1,5-dihydropyrazole
CID 144911861
ethane;3-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole
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Frequently Asked Questions

What is the IUPAC name of CID 163877214?
The IUPAC name of CID 163877214 (CID 163877214) is not available.
What is the SMILES notation for CID 163877214?
The canonical SMILES for CID 163877214 is C=CC1=C(/C=C\C)N(C)C(CI)[I-]C1I.
What is the InChIKey of CID 163877214?
The InChIKey is MBSQVGGTTXHGBN-XQRVVYSFSA-N. The full InChI is InChI=1S/C11H15I3N/c1-4-6-9-8(5-2)11(13)14-10(7-12)15(9)3/h4-6,10-11H,2,7H2,1,3H3/q-1/b6-4-.
What are the key properties of CID 163877214?
CID 163877214 has a molecular weight of 541.96 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163877214 is sourced from PubChem (CID 163877214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).