5-(isocyanomethyl)-2-pyrrolidin-1-ylpyridine

C11H13N3 — CID 83483400

IUPAC5-(isocyanomethyl)-2-pyrrolidin-1-ylpyridine
SMILES[C-]#[N+]Cc1ccc(N2CCCC2)nc1
InChIInChI=1S/C11H13N3/c1-12-8-10-4-5-11(13-9-10)14-6-2-3-7-14/h4-5,9H,2-3,6-8H2
InChIKeyVTEDIFNYWKICJN-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.10
Rot. Bonds2

About 5-(isocyanomethyl)-2-pyrrolidin-1-ylpyridine

5-(isocyanomethyl)-2-pyrrolidin-1-ylpyridine (PubChem CID 83483400) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 5-(isocyanomethyl)-2-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name5-(isocyanomethyl)-2-pyrrolidin-1-ylpyridine
PubChem CID83483400
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name5-(isocyanomethyl)-2-pyrrolidin-1-ylpyridine
SMILES[C-]#[N+]Cc1ccc(N2CCCC2)nc1
InChIInChI=1S/C11H13N3/c1-12-8-10-4-5-11(13-9-10)14-6-2-3-7-14/h4-5,9H,2-3,6-8H2
InChIKeyVTEDIFNYWKICJN-UHFFFAOYSA-N
XLogP2.10
TPSA20.49 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methylpropyl)-2-pyrrolidin-1-ylpyridine
CID 59000961
1-(6-piperidin-1-yl-3-pyridinyl)propan-2-one
CID 83888260
2,5-di(piperidin-1-yl)pyridine
CID 56695292
N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62279303
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-sulfonamide
CID 35388805
(2R)-1-[methyl-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]amino]propan-2-ol
CID 99629566
2-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1,1,3,3-tetramethylguanidine
CID 111049216
N-[(6-methyl-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 104739555
1,1-di(cyclobutyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanamine
CID 100752528
[6-(1,4-oxazepan-4-yl)-3-pyridinyl]methanamine
CID 62988943
5-iodo-2-piperidin-1-ylpyridine
CID 44721358
1-(5-bromo-2-pyridinyl)azocane
CID 55137358

Frequently Asked Questions

What is the IUPAC name of 5-(isocyanomethyl)-2-pyrrolidin-1-ylpyridine?
The IUPAC name of 5-(isocyanomethyl)-2-pyrrolidin-1-ylpyridine (CID 83483400) is 5-(isocyanomethyl)-2-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 5-(isocyanomethyl)-2-pyrrolidin-1-ylpyridine?
The canonical SMILES for 5-(isocyanomethyl)-2-pyrrolidin-1-ylpyridine is [C-]#[N+]Cc1ccc(N2CCCC2)nc1.
What is the InChIKey of 5-(isocyanomethyl)-2-pyrrolidin-1-ylpyridine?
The InChIKey is VTEDIFNYWKICJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-12-8-10-4-5-11(13-9-10)14-6-2-3-7-14/h4-5,9H,2-3,6-8H2.
What are the key properties of 5-(isocyanomethyl)-2-pyrrolidin-1-ylpyridine?
5-(isocyanomethyl)-2-pyrrolidin-1-ylpyridine has a molecular weight of 187.25 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(isocyanomethyl)-2-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 83483400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).