N-[(2R)-2-cyanopropyl]-N-methyl-2H-chromene-3-carboxamide

C15H16N2O2 — CID 94815129

IUPACN-[(2R)-2-cyanopropyl]-N-methyl-2H-chromene-3-carboxamide
SMILESC[C@@H](C#N)CN(C)C(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C15H16N2O2/c1-11(8-16)9-17(2)15(18)13-7-12-5-3-4-6-14(12)19-10-13/h3-7,11H,9-10H2,1-2H3/t11-/m0/s1
InChIKeyWPRQRVDVCPJNDD-NSHDSACASA-N
MW256.31 g/mol
LogP2.08
Rot. Bonds3

About N-[(2R)-2-cyanopropyl]-N-methyl-2H-chromene-3-carboxamide

N-[(2R)-2-cyanopropyl]-N-methyl-2H-chromene-3-carboxamide (PubChem CID 94815129) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[(2R)-2-cyanopropyl]-N-methyl-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-cyanopropyl]-N-methyl-2H-chromene-3-carboxamide
PubChem CID94815129
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-[(2R)-2-cyanopropyl]-N-methyl-2H-chromene-3-carboxamide
SMILESC[C@@H](C#N)CN(C)C(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C15H16N2O2/c1-11(8-16)9-17(2)15(18)13-7-12-5-3-4-6-14(12)19-10-13/h3-7,11H,9-10H2,1-2H3/t11-/m0/s1
InChIKeyWPRQRVDVCPJNDD-NSHDSACASA-N
XLogP2.08
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyanopropyl]-N-methyl-2H-chromene-3-carboxamide?
The IUPAC name of N-[(2R)-2-cyanopropyl]-N-methyl-2H-chromene-3-carboxamide (CID 94815129) is N-[(2R)-2-cyanopropyl]-N-methyl-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-cyanopropyl]-N-methyl-2H-chromene-3-carboxamide?
The canonical SMILES for N-[(2R)-2-cyanopropyl]-N-methyl-2H-chromene-3-carboxamide is C[C@@H](C#N)CN(C)C(=O)C1=Cc2ccccc2OC1.
What is the InChIKey of N-[(2R)-2-cyanopropyl]-N-methyl-2H-chromene-3-carboxamide?
The InChIKey is WPRQRVDVCPJNDD-NSHDSACASA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11(8-16)9-17(2)15(18)13-7-12-5-3-4-6-14(12)19-10-13/h3-7,11H,9-10H2,1-2H3/t11-/m0/s1.
What are the key properties of N-[(2R)-2-cyanopropyl]-N-methyl-2H-chromene-3-carboxamide?
N-[(2R)-2-cyanopropyl]-N-methyl-2H-chromene-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyanopropyl]-N-methyl-2H-chromene-3-carboxamide is sourced from PubChem (CID 94815129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).