N-(2H-chromen-3-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide

C20H18N2O2 — CID 3785227

IUPACN-(2H-chromen-3-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NN=CC1=Cc2ccccc2OC1)C1CC1c1ccccc1
InChIInChI=1S/C20H18N2O2/c23-20(18-11-17(18)15-6-2-1-3-7-15)22-21-12-14-10-16-8-4-5-9-19(16)24-13-14/h1-10,12,17-18H,11,13H2,(H,22,23)
InChIKeyPUFYOJDUKUZWEG-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.37
Rot. Bonds4

About N-(2H-chromen-3-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide

N-(2H-chromen-3-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide (PubChem CID 3785227) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(2H-chromen-3-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2H-chromen-3-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide
PubChem CID3785227
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC NameN-(2H-chromen-3-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NN=CC1=Cc2ccccc2OC1)C1CC1c1ccccc1
InChIInChI=1S/C20H18N2O2/c23-20(18-11-17(18)15-6-2-1-3-7-15)22-21-12-14-10-16-8-4-5-9-19(16)24-13-14/h1-10,12,17-18H,11,13H2,(H,22,23)
InChIKeyPUFYOJDUKUZWEG-UHFFFAOYSA-N
XLogP3.37
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-(furan-2-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide
CID 3097442
trans-(1R,2R)-N-(furan-2-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide
CID 739752
N-(naphthalen-1-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide
CID 4154007
trans-(1R,2R)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6552897
cis-(1R,2S)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6975061
cis-(1S,2R)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 7452524
cis-(1R,2S)-N-[(4-bromophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 129440063
trans-(1S,2S)-2-phenyl-N-(pyridin-4-ylmethylideneamino)cyclopropane-1-carboxamide
CID 129359921
cis-(1S,2R)-N-[[4-(dimethylamino)phenyl]methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 129439856
cis-(1R,2S)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 40528188
trans-(1R,2R)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 5392525
[(2R)-1-[(2E)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-3-methyl-1-oxobutan-2-yl]azanium chloride
CID 44662181

Frequently Asked Questions

What is the IUPAC name of N-(2H-chromen-3-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(2H-chromen-3-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide (CID 3785227) is N-(2H-chromen-3-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2H-chromen-3-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2H-chromen-3-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide is O=C(NN=CC1=Cc2ccccc2OC1)C1CC1c1ccccc1.
What is the InChIKey of N-(2H-chromen-3-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is PUFYOJDUKUZWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c23-20(18-11-17(18)15-6-2-1-3-7-15)22-21-12-14-10-16-8-4-5-9-19(16)24-13-14/h1-10,12,17-18H,11,13H2,(H,22,23).
What are the key properties of N-(2H-chromen-3-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide?
N-(2H-chromen-3-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-chromen-3-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 3785227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).