N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-4-nitroaniline

C15H13N3O3 — CID 101015123

IUPACN-[(Z)-2,3-dihydrochromen-4-ylideneamino]-4-nitroaniline
SMILESO=[N+]([O-])c1ccc(N/N=C2/CCOc3ccccc32)cc1
InChIInChI=1S/C15H13N3O3/c19-18(20)12-7-5-11(6-8-12)16-17-14-9-10-21-15-4-2-1-3-13(14)15/h1-8,16H,9-10H2/b17-14-
InChIKeyAXYXRJNJCVOGQZ-VKAVYKQESA-N
MW283.29 g/mol
LogP3.19
Rot. Bonds3

About N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-4-nitroaniline

N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-4-nitroaniline (PubChem CID 101015123) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-4-nitroaniline.

Molecular Properties

Compound NameN-[(Z)-2,3-dihydrochromen-4-ylideneamino]-4-nitroaniline
PubChem CID101015123
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC NameN-[(Z)-2,3-dihydrochromen-4-ylideneamino]-4-nitroaniline
SMILESO=[N+]([O-])c1ccc(N/N=C2/CCOc3ccccc32)cc1
InChIInChI=1S/C15H13N3O3/c19-18(20)12-7-5-11(6-8-12)16-17-14-9-10-21-15-4-2-1-3-13(14)15/h1-8,16H,9-10H2/b17-14-
InChIKeyAXYXRJNJCVOGQZ-VKAVYKQESA-N
XLogP3.19
TPSA76.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-4-nitroaniline 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

(3Z)-3-[(4-nitrophenyl)hydrazinylidene]inden-1-one
CID 6251364
N-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(3-nitrophenoxy)acetamide
CID 117071561
(NE)-N-(6-nitro-2,3-dihydrochromen-4-ylidene)hydroxylamine
CID 88795265
N-[(E)-(7-methyl-2,3-dihydro-1H-1,8-naphthyridin-4-ylidene)amino]-4-nitroaniline
CID 135712949
N-(cyclohexylideneamino)-4-nitroaniline
CID 616169
N-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-(2-nitrophenoxy)propanamide
CID 10736902
N-[(6-chloro-2,3-dihydrothiochromen-4-ylidene)amino]-4-nitroaniline
CID 2741143
[(Z)-2,3-dihydrochromen-4-ylideneamino]thiourea
CID 25234557
(3E)-4,4-dimethyl-3-[(4-nitrophenyl)hydrazinylidene]oxolan-2-one
CID 5337667
N-[(E)-(15-methyl-14-thiabicyclo[11.3.0]hexadeca-1(13),15-dien-2-ylidene)amino]-4-nitroaniline
CID 42648088
1-(4-nitrophenyl)-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole
CID 10267208
5-[(2Z)-2-(2,3-dihydrochromen-4-ylidene)hydrazinyl]-2-methyl-1,3-oxazole-4-carbonitrile
CID 75363740

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-4-nitroaniline?
The IUPAC name of N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-4-nitroaniline (CID 101015123) is N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-4-nitroaniline.
What is the SMILES notation for N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-4-nitroaniline?
The canonical SMILES for N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-4-nitroaniline is O=[N+]([O-])c1ccc(N/N=C2/CCOc3ccccc32)cc1.
What is the InChIKey of N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-4-nitroaniline?
The InChIKey is AXYXRJNJCVOGQZ-VKAVYKQESA-N. The full InChI is InChI=1S/C15H13N3O3/c19-18(20)12-7-5-11(6-8-12)16-17-14-9-10-21-15-4-2-1-3-13(14)15/h1-8,16H,9-10H2/b17-14-.
What are the key properties of N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-4-nitroaniline?
N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-4-nitroaniline has a molecular weight of 283.29 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-4-nitroaniline is sourced from PubChem (CID 101015123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).