3-(3,4-dihydro-2H-chromen-4-ylmethylidene)cyclobutan-1-amine

C14H17NO — CID 103393870

IUPAC3-(3,4-dihydro-2H-chromen-4-ylmethylidene)cyclobutan-1-amine
SMILESNC1CC(=CC2CCOc3ccccc32)C1
InChIInChI=1S/C14H17NO/c15-12-8-10(9-12)7-11-5-6-16-14-4-2-1-3-13(11)14/h1-4,7,11-12H,5-6,8-9,15H2/b10-7-
InChIKeyRGKNWZNJYVCYLU-YFHOEESVSA-N
MW215.30 g/mol
LogP2.60
Rot. Bonds1

About 3-(3,4-dihydro-2H-chromen-4-ylmethylidene)cyclobutan-1-amine

3-(3,4-dihydro-2H-chromen-4-ylmethylidene)cyclobutan-1-amine (PubChem CID 103393870) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-4-ylmethylidene)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-4-ylmethylidene)cyclobutan-1-amine
PubChem CID103393870
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name3-(3,4-dihydro-2H-chromen-4-ylmethylidene)cyclobutan-1-amine
SMILESNC1CC(=CC2CCOc3ccccc32)C1
InChIInChI=1S/C14H17NO/c15-12-8-10(9-12)7-11-5-6-16-14-4-2-1-3-13(11)14/h1-4,7,11-12H,5-6,8-9,15H2/b10-7-
InChIKeyRGKNWZNJYVCYLU-YFHOEESVSA-N
XLogP2.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-iodo-3,4-dihydro-2H-chromene
CID 146562180
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
(5R)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 51669849
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 15619698
(5S)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 51669851
1-N-(3,4-dihydro-2H-chromen-4-yl)cyclobutane-1,3-diamine
CID 80560661
S-(3,4-dihydro-2H-chromen-4-yl)thiohydroxylamine
CID 57083074
(4S)-3,4-dihydro-2H-chromene-4-carbonitrile
CID 51669858
1a,2,3,8b-tetrahydrooxireno[2,3-d][1]benzoxepine
CID 13149080
(4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine
CID 163411426
(4S)-N-ethenyl-3,4-dihydro-2H-chromen-4-amine
CID 156742889

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-4-ylmethylidene)cyclobutan-1-amine?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-4-ylmethylidene)cyclobutan-1-amine (CID 103393870) is 3-(3,4-dihydro-2H-chromen-4-ylmethylidene)cyclobutan-1-amine.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-4-ylmethylidene)cyclobutan-1-amine?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-4-ylmethylidene)cyclobutan-1-amine is NC1CC(=CC2CCOc3ccccc32)C1.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-4-ylmethylidene)cyclobutan-1-amine?
The InChIKey is RGKNWZNJYVCYLU-YFHOEESVSA-N. The full InChI is InChI=1S/C14H17NO/c15-12-8-10(9-12)7-11-5-6-16-14-4-2-1-3-13(11)14/h1-4,7,11-12H,5-6,8-9,15H2/b10-7-.
What are the key properties of 3-(3,4-dihydro-2H-chromen-4-ylmethylidene)cyclobutan-1-amine?
3-(3,4-dihydro-2H-chromen-4-ylmethylidene)cyclobutan-1-amine has a molecular weight of 215.30 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-4-ylmethylidene)cyclobutan-1-amine is sourced from PubChem (CID 103393870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).