5-(3,4-dihydro-2H-chromen-6-yl)pentanenitrile

C14H17NO — CID 82471341

IUPAC5-(3,4-dihydro-2H-chromen-6-yl)pentanenitrile
SMILESN#CCCCCc1ccc2c(c1)CCCO2
InChIInChI=1S/C14H17NO/c15-9-3-1-2-5-12-7-8-14-13(11-12)6-4-10-16-14/h7-8,11H,1-6,10H2
InChIKeyUNEUPONZXGQXNQ-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.25
Rot. Bonds4

About 5-(3,4-dihydro-2H-chromen-6-yl)pentanenitrile

5-(3,4-dihydro-2H-chromen-6-yl)pentanenitrile (PubChem CID 82471341) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-chromen-6-yl)pentanenitrile.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-chromen-6-yl)pentanenitrile
PubChem CID82471341
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name5-(3,4-dihydro-2H-chromen-6-yl)pentanenitrile
SMILESN#CCCCCc1ccc2c(c1)CCCO2
InChIInChI=1S/C14H17NO/c15-9-3-1-2-5-12-7-8-14-13(11-12)6-4-10-16-14/h7-8,11H,1-6,10H2
InChIKeyUNEUPONZXGQXNQ-UHFFFAOYSA-N
XLogP3.25
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(3,4-dihydro-2H-chromen-6-yl)-N-ethylhexan-1-amine
CID 65306061
4-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]butanenitrile
CID 115231859
2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile
CID 10986528
2-cyano-N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-N-methylacetamide
CID 115173364
3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propanenitrile
CID 116880179
2-[3,4-dihydro-2H-chromen-6-ylmethyl(methyl)amino]propanenitrile
CID 115130295
5-(3,4-dihydro-2H-chromen-6-yl)-N-methylpentanehydrazide
CID 116845249
3-amino-3-(3,4-dihydro-2H-chromen-6-yl)propanenitrile
CID 116851252
5-(3,4-dihydro-2H-chromen-6-yl)-N'-methylpentanehydrazide
CID 116846644
4-(3,4-dihydro-2H-chromen-6-yl)-N'-methylbutanehydrazide
CID 116846526
2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylcyanamide
CID 117043556
2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethanamine
CID 65305296

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-chromen-6-yl)pentanenitrile?
The IUPAC name of 5-(3,4-dihydro-2H-chromen-6-yl)pentanenitrile (CID 82471341) is 5-(3,4-dihydro-2H-chromen-6-yl)pentanenitrile.
What is the SMILES notation for 5-(3,4-dihydro-2H-chromen-6-yl)pentanenitrile?
The canonical SMILES for 5-(3,4-dihydro-2H-chromen-6-yl)pentanenitrile is N#CCCCCc1ccc2c(c1)CCCO2.
What is the InChIKey of 5-(3,4-dihydro-2H-chromen-6-yl)pentanenitrile?
The InChIKey is UNEUPONZXGQXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c15-9-3-1-2-5-12-7-8-14-13(11-12)6-4-10-16-14/h7-8,11H,1-6,10H2.
What are the key properties of 5-(3,4-dihydro-2H-chromen-6-yl)pentanenitrile?
5-(3,4-dihydro-2H-chromen-6-yl)pentanenitrile has a molecular weight of 215.30 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-chromen-6-yl)pentanenitrile is sourced from PubChem (CID 82471341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).