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

C12H18N2O2 — CID 97039089

IUPACN-[(1S)-1-cyano-2,2-dimethylpropyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCC(C)(C)[C@@H](C#N)NC(=O)C1=CCCCO1
InChIInChI=1S/C12H18N2O2/c1-12(2,3)10(8-13)14-11(15)9-6-4-5-7-16-9/h6,10H,4-5,7H2,1-3H3,(H,14,15)/t10-/m1/s1
InChIKeyVTGMOJMBEGPBEP-SNVBAGLBSA-N
MW222.29 g/mol
LogP1.74
Rot. Bonds2

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

N-[(1S)-1-cyano-2,2-dimethylpropyl]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 97039089) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[(1S)-1-cyano-2,2-dimethylpropyl]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyano-2,2-dimethylpropyl]-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID97039089
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-[(1S)-1-cyano-2,2-dimethylpropyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCC(C)(C)[C@@H](C#N)NC(=O)C1=CCCCO1
InChIInChI=1S/C12H18N2O2/c1-12(2,3)10(8-13)14-11(15)9-6-4-5-7-16-9/h6,10H,4-5,7H2,1-3H3,(H,14,15)/t10-/m1/s1
InChIKeyVTGMOJMBEGPBEP-SNVBAGLBSA-N
XLogP1.74
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 71970268
N-(1-Cyano-2,2-dimethylpropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 71973250
N-[(1R)-1-cyano-2,2-dimethylpropyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 97039090
N-butan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 126999597
N-(1-cyanopropan-2-yl)-2,3-dihydrofuran-5-carboxamide
CID 130669927
N-[(1S)-1-cyanoethyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 130671534
N-(1-cyanopropyl)-2,3-dihydrofuran-5-carboxamide
CID 131110500

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyano-2,2-dimethylpropyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-[(1S)-1-cyano-2,2-dimethylpropyl]-3,4-dihydro-2H-pyran-6-carboxamide (CID 97039089) is N-[(1S)-1-cyano-2,2-dimethylpropyl]-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyano-2,2-dimethylpropyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-[(1S)-1-cyano-2,2-dimethylpropyl]-3,4-dihydro-2H-pyran-6-carboxamide is CC(C)(C)[C@@H](C#N)NC(=O)C1=CCCCO1.
What is the InChIKey of N-[(1S)-1-cyano-2,2-dimethylpropyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is VTGMOJMBEGPBEP-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(2,3)10(8-13)14-11(15)9-6-4-5-7-16-9/h6,10H,4-5,7H2,1-3H3,(H,14,15)/t10-/m1/s1.
What are the key properties of N-[(1S)-1-cyano-2,2-dimethylpropyl]-3,4-dihydro-2H-pyran-6-carboxamide?
N-[(1S)-1-cyano-2,2-dimethylpropyl]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyano-2,2-dimethylpropyl]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 97039089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).