(2-ethylpyrrolidin-1-yl)-(2-iodophenyl)methanone

C13H16INO — CID 55137776

IUPAC(2-ethylpyrrolidin-1-yl)-(2-iodophenyl)methanone
SMILESCCC1CCCN1C(=O)c1ccccc1I
InChIInChI=1S/C13H16INO/c1-2-10-6-5-9-15(10)13(16)11-7-3-4-8-12(11)14/h3-4,7-8,10H,2,5-6,9H2,1H3
InChIKeyZSLRASUJCQIFCJ-UHFFFAOYSA-N
MW329.18 g/mol
LogP3.31
Rot. Bonds2

About (2-ethylpyrrolidin-1-yl)-(2-iodophenyl)methanone

(2-ethylpyrrolidin-1-yl)-(2-iodophenyl)methanone (PubChem CID 55137776) has the molecular formula C13H16INO and a molecular weight of 329.18 g/mol. Its IUPAC name is (2-ethylpyrrolidin-1-yl)-(2-iodophenyl)methanone.

Molecular Properties

Compound Name(2-ethylpyrrolidin-1-yl)-(2-iodophenyl)methanone
PubChem CID55137776
Molecular FormulaC13H16INO
Molecular Weight329.18 g/mol
Exact Mass329.03
IUPAC Name(2-ethylpyrrolidin-1-yl)-(2-iodophenyl)methanone
SMILESCCC1CCCN1C(=O)c1ccccc1I
InChIInChI=1S/C13H16INO/c1-2-10-6-5-9-15(10)13(16)11-7-3-4-8-12(11)14/h3-4,7-8,10H,2,5-6,9H2,1H3
InChIKeyZSLRASUJCQIFCJ-UHFFFAOYSA-N
XLogP3.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-iodophenyl)methanone
CID 66261712
[2-(bromomethyl)pyrrolidin-1-yl]-(2-iodophenyl)methanone
CID 80677593
(2-ethylpyrrolidin-1-yl)-(2-methylphenyl)methanone
CID 110604637
(2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone
CID 112692526
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-iodobenzamide
CID 112768344
[2-(ethylamino)phenyl]-(2-ethylazepan-1-yl)methanone
CID 104690846
2-(2-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 43266727
[2-(aminomethyl)pyrrolidin-1-yl]-(3-iodo-2-methylphenyl)methanone;hydrochloride
CID 119633627
(2-ethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone
CID 43403986
(2-ethylazepan-1-yl)-(1H-indol-4-yl)methanone
CID 115672309
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrrolidin-1-yl)-(2-iodophenyl)methanone?
The IUPAC name of (2-ethylpyrrolidin-1-yl)-(2-iodophenyl)methanone (CID 55137776) is (2-ethylpyrrolidin-1-yl)-(2-iodophenyl)methanone.
What is the SMILES notation for (2-ethylpyrrolidin-1-yl)-(2-iodophenyl)methanone?
The canonical SMILES for (2-ethylpyrrolidin-1-yl)-(2-iodophenyl)methanone is CCC1CCCN1C(=O)c1ccccc1I.
What is the InChIKey of (2-ethylpyrrolidin-1-yl)-(2-iodophenyl)methanone?
The InChIKey is ZSLRASUJCQIFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16INO/c1-2-10-6-5-9-15(10)13(16)11-7-3-4-8-12(11)14/h3-4,7-8,10H,2,5-6,9H2,1H3.
What are the key properties of (2-ethylpyrrolidin-1-yl)-(2-iodophenyl)methanone?
(2-ethylpyrrolidin-1-yl)-(2-iodophenyl)methanone has a molecular weight of 329.18 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrrolidin-1-yl)-(2-iodophenyl)methanone is sourced from PubChem (CID 55137776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).