N-(3-cyanopropyl)-3,4-dihydro-2H-chromene-3-carboxamide

C14H16N2O2 — CID 63589285

IUPACN-(3-cyanopropyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESN#CCCCNC(=O)C1COc2ccccc2C1
InChIInChI=1S/C14H16N2O2/c15-7-3-4-8-16-14(17)12-9-11-5-1-2-6-13(11)18-10-12/h1-2,5-6,12H,3-4,8-10H2,(H,16,17)
InChIKeyZGVCCXBGFSGPDY-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.66
Rot. Bonds4

About N-(3-cyanopropyl)-3,4-dihydro-2H-chromene-3-carboxamide

N-(3-cyanopropyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 63589285) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(3-cyanopropyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanopropyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID63589285
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-(3-cyanopropyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESN#CCCCNC(=O)C1COc2ccccc2C1
InChIInChI=1S/C14H16N2O2/c15-7-3-4-8-16-14(17)12-9-11-5-1-2-6-13(11)18-10-12/h1-2,5-6,12H,3-4,8-10H2,(H,16,17)
InChIKeyZGVCCXBGFSGPDY-UHFFFAOYSA-N
XLogP1.66
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyanobutyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 63284588
N-(4-hydroxybutyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 106843420
4-(3,4-dihydro-2H-chromene-3-carbonylamino)butanoic acid
CID 43241764
N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578103
N-(3-propan-2-yloxypropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578122
6-(3,4-dihydro-2H-chromene-3-carbonylamino)hexanoic acid
CID 43241983
(3R)-N-(3-methylsulfonylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95644954
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 64867410
(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 9243365
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 175826677
N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578144

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopropyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(3-cyanopropyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 63589285) is N-(3-cyanopropyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(3-cyanopropyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(3-cyanopropyl)-3,4-dihydro-2H-chromene-3-carboxamide is N#CCCCNC(=O)C1COc2ccccc2C1.
What is the InChIKey of N-(3-cyanopropyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is ZGVCCXBGFSGPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-7-3-4-8-16-14(17)12-9-11-5-1-2-6-13(11)18-10-12/h1-2,5-6,12H,3-4,8-10H2,(H,16,17).
What are the key properties of N-(3-cyanopropyl)-3,4-dihydro-2H-chromene-3-carboxamide?
N-(3-cyanopropyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopropyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 63589285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).