tert-butyl N-[(Z)-2,3-dihydrochromen-4-ylideneamino]carbamate

C14H18N2O3 — CID 8972503

IUPACtert-butyl N-[(Z)-2,3-dihydrochromen-4-ylideneamino]carbamate
SMILESCC(C)(C)OC(=O)N/N=C1/CCOc2ccccc21
InChIInChI=1S/C14H18N2O3/c1-14(2,3)19-13(17)16-15-11-8-9-18-12-7-5-4-6-10(11)12/h4-7H,8-9H2,1-3H3,(H,16,17)/b15-11-
InChIKeyOXSUAXQPWDBXKK-PTNGSMBKSA-N
MW262.31 g/mol
LogP2.70
Rot. Bonds1

About tert-butyl N-[(Z)-2,3-dihydrochromen-4-ylideneamino]carbamate

tert-butyl N-[(Z)-2,3-dihydrochromen-4-ylideneamino]carbamate (PubChem CID 8972503) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is tert-butyl N-[(Z)-2,3-dihydrochromen-4-ylideneamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-2,3-dihydrochromen-4-ylideneamino]carbamate
PubChem CID8972503
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Nametert-butyl N-[(Z)-2,3-dihydrochromen-4-ylideneamino]carbamate
SMILESCC(C)(C)OC(=O)N/N=C1/CCOc2ccccc21
InChIInChI=1S/C14H18N2O3/c1-14(2,3)19-13(17)16-15-11-8-9-18-12-7-5-4-6-10(11)12/h4-7H,8-9H2,1-3H3,(H,16,17)/b15-11-
InChIKeyOXSUAXQPWDBXKK-PTNGSMBKSA-N
XLogP2.70
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.70
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'}

Analyze tert-butyl N-[(Z)-2,3-dihydrochromen-4-ylideneamino]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-2,3-dihydrochromen-4-ylideneamino]cyclohexanecarboxamide
CID 9465772
N-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(2-nitrophenoxy)propanamide
CID 10736902
1-(2,3-dihydrochromen-4-ylideneamino)-3-(2-fluorophenyl)thiourea
CID 8978703
tert-butyl N-[(E)-oxan-3-ylideneamino]carbamate
CID 131984906
tert-butyl N-[(Z)-[2-(3,5-dimethoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-ylidene]amino]carbamate
CID 10693617
N-(2,3-dihydrochromen-4-ylideneamino)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)acetamide
CID 9177345
tert-butyl N-[(3S,4S)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]carbamate
CID 146234658
tert-butyl N-[(E)-4-oxaspiro[2.4]heptan-7-ylideneamino]carbamate
CID 166507406
4-[[4-[(3-methyl-3-sulfanylbutanoyl)hydrazinylidene]-2,3-dihydrochromen-7-yl]oxy]butanoic acid
CID 142606286
tert-butyl carbamate;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;molecular hydrogen
CID 144684381
tert-butyl N-[2-(2,3-dihydro-1-benzofuran-3-ylamino)ethyl]carbamate
CID 115615306
tert-butyl N-[(4-methylcyclohexylidene)amino]carbamate
CID 3505257

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-2,3-dihydrochromen-4-ylideneamino]carbamate?
The IUPAC name of tert-butyl N-[(Z)-2,3-dihydrochromen-4-ylideneamino]carbamate (CID 8972503) is tert-butyl N-[(Z)-2,3-dihydrochromen-4-ylideneamino]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-2,3-dihydrochromen-4-ylideneamino]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-2,3-dihydrochromen-4-ylideneamino]carbamate is CC(C)(C)OC(=O)N/N=C1/CCOc2ccccc21.
What is the InChIKey of tert-butyl N-[(Z)-2,3-dihydrochromen-4-ylideneamino]carbamate?
The InChIKey is OXSUAXQPWDBXKK-PTNGSMBKSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(2,3)19-13(17)16-15-11-8-9-18-12-7-5-4-6-10(11)12/h4-7H,8-9H2,1-3H3,(H,16,17)/b15-11-.
What are the key properties of tert-butyl N-[(Z)-2,3-dihydrochromen-4-ylideneamino]carbamate?
tert-butyl N-[(Z)-2,3-dihydrochromen-4-ylideneamino]carbamate has a molecular weight of 262.31 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-2,3-dihydrochromen-4-ylideneamino]carbamate is sourced from PubChem (CID 8972503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).