N-[(1S)-1-cyanoethyl]-3,4-dihydro-2H-pyran-6-carboxamide

C9H12N2O2 — CID 130671534

IUPACN-[(1S)-1-cyanoethyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESC[C@@H](C#N)NC(=O)C1=CCCCO1
InChIInChI=1S/C9H12N2O2/c1-7(6-10)11-9(12)8-4-2-3-5-13-8/h4,7H,2-3,5H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyLDALNEBFIHIHHG-ZETCQYMHSA-N
MW180.21 g/mol
LogP0.71
Rot. Bonds2

About N-[(1S)-1-cyanoethyl]-3,4-dihydro-2H-pyran-6-carboxamide

N-[(1S)-1-cyanoethyl]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 130671534) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N-[(1S)-1-cyanoethyl]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyanoethyl]-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID130671534
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN-[(1S)-1-cyanoethyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESC[C@@H](C#N)NC(=O)C1=CCCCO1
InChIInChI=1S/C9H12N2O2/c1-7(6-10)11-9(12)8-4-2-3-5-13-8/h4,7H,2-3,5H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyLDALNEBFIHIHHG-ZETCQYMHSA-N
XLogP0.71
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-3-ethoxy-5,6-dihydro-2-pyridinol
CID 134612800
N-(2-fluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 127017391
N-(1-fluoropropan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 130708560
4-oxo-N-propan-2-ylpyran-2-carboxamide
CID 171049178
N-isopropyl-5-methoxy-4-oxo-4H-pyran-2-carboxamide
CID 45537836
4-(3,4-dihydro-2H-pyran-6-carbonyl)morpholine-3-carbonitrile
CID 71854986
N-(Cyanomethyl)-N-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 71970872
N-(1-Cyano-2,2-dimethylpropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 71973250
(3S)-4-(3,4-dihydro-2H-pyran-6-carbonyl)morpholine-3-carbonitrile
CID 97005302
(3R)-4-(3,4-dihydro-2H-pyran-6-carbonyl)morpholine-3-carbonitrile
CID 97005303
N-[(1S)-1-cyano-2,2-dimethylpropyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 97039089
N-[(1R)-1-cyano-2,2-dimethylpropyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 97039090

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyanoethyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-[(1S)-1-cyanoethyl]-3,4-dihydro-2H-pyran-6-carboxamide (CID 130671534) is N-[(1S)-1-cyanoethyl]-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyanoethyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-[(1S)-1-cyanoethyl]-3,4-dihydro-2H-pyran-6-carboxamide is C[C@@H](C#N)NC(=O)C1=CCCCO1.
What is the InChIKey of N-[(1S)-1-cyanoethyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is LDALNEBFIHIHHG-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-7(6-10)11-9(12)8-4-2-3-5-13-8/h4,7H,2-3,5H2,1H3,(H,11,12)/t7-/m0/s1.
What are the key properties of N-[(1S)-1-cyanoethyl]-3,4-dihydro-2H-pyran-6-carboxamide?
N-[(1S)-1-cyanoethyl]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyanoethyl]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 130671534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).