(4S)-3,4-dihydro-2H-chromene-4-carbonitrile

C10H9NO — CID 51669858

IUPAC(4S)-3,4-dihydro-2H-chromene-4-carbonitrile
SMILESN#C[C@H]1CCOc2ccccc21
InChIInChI=1S/C10H9NO/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-4,8H,5-6H2/t8-/m1/s1
InChIKeyABAPCDWXFHBYPE-MRVPVSSYSA-N
MW159.19 g/mol
LogP2.08
Rot. Bonds

About (4S)-3,4-dihydro-2H-chromene-4-carbonitrile

(4S)-3,4-dihydro-2H-chromene-4-carbonitrile (PubChem CID 51669858) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is (4S)-3,4-dihydro-2H-chromene-4-carbonitrile.

Molecular Properties

Compound Name(4S)-3,4-dihydro-2H-chromene-4-carbonitrile
PubChem CID51669858
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name(4S)-3,4-dihydro-2H-chromene-4-carbonitrile
SMILESN#C[C@H]1CCOc2ccccc21
InChIInChI=1S/C10H9NO/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-4,8H,5-6H2/t8-/m1/s1
InChIKeyABAPCDWXFHBYPE-MRVPVSSYSA-N
XLogP2.08
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-iodo-3,4-dihydro-2H-chromene
CID 146562180
2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile
CID 62367299
2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexane-1-carbonitrile
CID 62743006
methyl 3-(3,4-dihydro-2H-chromen-4-yl)prop-2-ynoate
CID 64534380
1a,2,3,8b-tetrahydrooxireno[2,3-d][1]benzoxepine
CID 13149080
3-(3,4-dihydro-2H-chromen-4-ylamino)-3-phenylpropanenitrile
CID 62779889
(4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine
CID 163411426
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
7-chloro-2,3,4,5-tetrahydro-1-benzoxepine-5-carbonitrile
CID 82241513
7-bromo-2,3,4,5-tetrahydro-1-benzoxepine-5-carbonitrile
CID 82245030
4-[1-(3,4-dihydro-2H-chromen-4-ylamino)ethyl]benzonitrile
CID 43692400

Frequently Asked Questions

What is the IUPAC name of (4S)-3,4-dihydro-2H-chromene-4-carbonitrile?
The IUPAC name of (4S)-3,4-dihydro-2H-chromene-4-carbonitrile (CID 51669858) is (4S)-3,4-dihydro-2H-chromene-4-carbonitrile.
What is the SMILES notation for (4S)-3,4-dihydro-2H-chromene-4-carbonitrile?
The canonical SMILES for (4S)-3,4-dihydro-2H-chromene-4-carbonitrile is N#C[C@H]1CCOc2ccccc21.
What is the InChIKey of (4S)-3,4-dihydro-2H-chromene-4-carbonitrile?
The InChIKey is ABAPCDWXFHBYPE-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H9NO/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-4,8H,5-6H2/t8-/m1/s1.
What are the key properties of (4S)-3,4-dihydro-2H-chromene-4-carbonitrile?
(4S)-3,4-dihydro-2H-chromene-4-carbonitrile has a molecular weight of 159.19 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,4-dihydro-2H-chromene-4-carbonitrile is sourced from PubChem (CID 51669858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).