N-(cyclopentylideneamino)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C14H16N2O3 — CID 3712198

IUPACN-(cyclopentylideneamino)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(NN=C1CCCC1)C1COc2ccccc2O1
InChIInChI=1S/C14H16N2O3/c17-14(16-15-10-5-1-2-6-10)13-9-18-11-7-3-4-8-12(11)19-13/h3-4,7-8,13H,1-2,5-6,9H2,(H,16,17)
InChIKeyPBTCNNZJEUMOEM-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.87
Rot. Bonds2

About N-(cyclopentylideneamino)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-(cyclopentylideneamino)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 3712198) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-(cyclopentylideneamino)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopentylideneamino)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID3712198
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-(cyclopentylideneamino)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(NN=C1CCCC1)C1COc2ccccc2O1
InChIInChI=1S/C14H16N2O3/c17-14(16-15-10-5-1-2-6-10)13-9-18-11-7-3-4-8-12(11)19-13/h3-4,7-8,13H,1-2,5-6,9H2,(H,16,17)
InChIKeyPBTCNNZJEUMOEM-UHFFFAOYSA-N
XLogP1.87
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-(cyclododecylideneamino)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7716368
N-(fluoren-9-ylideneamino)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4205258
(3S)-N-[[1-(4-fluorophenyl)piperidin-4-ylidene]amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94866180
(3R)-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7530045
(3S)-N-carbamoyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 95354893
N-[(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3976015
(3R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 136757946
(3R)-N-cycloheptyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2176720
(3R)-N-cyclooctyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2397752
(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)urea
CID 60704410
(3S)-N-[(Z)-[(2R,5R)-5-methyl-2-propan-2-ylcyclohexylidene]amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 9237807
(3S)-N-[(Z)-(2-fluorophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 5400632

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylideneamino)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(cyclopentylideneamino)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 3712198) is N-(cyclopentylideneamino)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(cyclopentylideneamino)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(cyclopentylideneamino)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(NN=C1CCCC1)C1COc2ccccc2O1.
What is the InChIKey of N-(cyclopentylideneamino)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is PBTCNNZJEUMOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-14(16-15-10-5-1-2-6-10)13-9-18-11-7-3-4-8-12(11)19-13/h3-4,7-8,13H,1-2,5-6,9H2,(H,16,17).
What are the key properties of N-(cyclopentylideneamino)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(cyclopentylideneamino)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylideneamino)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 3712198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).