3-isocyano-1-propan-2-ylpyrrolidine

C8H14N2 — CID 84762551

IUPAC3-isocyano-1-propan-2-ylpyrrolidine
SMILES[C-]#[N+]C1CCN(C(C)C)C1
InChIInChI=1S/C8H14N2/c1-7(2)10-5-4-8(6-10)9-3/h7-8H,4-6H2,1-2H3
InChIKeyVZAFTSMYCJFRQT-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.39
Rot. Bonds1

About 3-isocyano-1-propan-2-ylpyrrolidine

3-isocyano-1-propan-2-ylpyrrolidine (PubChem CID 84762551) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-isocyano-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-isocyano-1-propan-2-ylpyrrolidine
PubChem CID84762551
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3-isocyano-1-propan-2-ylpyrrolidine
SMILES[C-]#[N+]C1CCN(C(C)C)C1
InChIInChI=1S/C8H14N2/c1-7(2)10-5-4-8(6-10)9-3/h7-8H,4-6H2,1-2H3
InChIKeyVZAFTSMYCJFRQT-UHFFFAOYSA-N
XLogP1.39
TPSA7.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2-isocyano-1-[(3R)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 140940860
(6S)-3-propan-2-yl-3-azabicyclo[4.2.0]octane
CID 137467561
(3R,4R)-3,4-dimethyl-1-propan-2-ylpiperidine
CID 170359650
(3S,4S)-3,4-dimethyl-1-propan-2-ylpiperidine
CID 147690479
2,6-di(propan-2-yl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine;2,7-di(propan-2-yl)-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine
CID 164996340
ethane;3-methyl-1-propan-2-ylpyrrolidine
CID 156888189
(3S)-1-propan-2-ylpyrrolidin-3-ol
CID 45087375
(3S)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride
CID 67298942
(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 55299463
(1R,6R)-3-propan-2-yl-3-azabicyclo[4.1.0]heptane
CID 176597082
1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 59059970
(1R)-1-[(3R)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 140940785

Frequently Asked Questions

What is the IUPAC name of 3-isocyano-1-propan-2-ylpyrrolidine?
The IUPAC name of 3-isocyano-1-propan-2-ylpyrrolidine (CID 84762551) is 3-isocyano-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-isocyano-1-propan-2-ylpyrrolidine?
The canonical SMILES for 3-isocyano-1-propan-2-ylpyrrolidine is [C-]#[N+]C1CCN(C(C)C)C1.
What is the InChIKey of 3-isocyano-1-propan-2-ylpyrrolidine?
The InChIKey is VZAFTSMYCJFRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-7(2)10-5-4-8(6-10)9-3/h7-8H,4-6H2,1-2H3.
What are the key properties of 3-isocyano-1-propan-2-ylpyrrolidine?
3-isocyano-1-propan-2-ylpyrrolidine has a molecular weight of 138.21 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isocyano-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 84762551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).