N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]cyclopropanecarboxamide

C19H18N2O2 — CID 6112530

IUPACN-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]cyclopropanecarboxamide
SMILESO=C(N/N=C1/CC(c2ccccc2)Oc2ccccc21)C1CC1
InChIInChI=1S/C19H18N2O2/c22-19(14-10-11-14)21-20-16-12-18(13-6-2-1-3-7-13)23-17-9-5-4-8-15(16)17/h1-9,14,18H,10-12H2,(H,21,22)/b20-16-
InChIKeyQKAULQAJBNNKTI-SILNSSARSA-N
MW306.37 g/mol
LogP3.44
Rot. Bonds3

About N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]cyclopropanecarboxamide

N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]cyclopropanecarboxamide (PubChem CID 6112530) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]cyclopropanecarboxamide
PubChem CID6112530
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]cyclopropanecarboxamide
SMILESO=C(N/N=C1/CC(c2ccccc2)Oc2ccccc21)C1CC1
InChIInChI=1S/C19H18N2O2/c22-19(14-10-11-14)21-20-16-12-18(13-6-2-1-3-7-13)23-17-9-5-4-8-15(16)17/h1-9,14,18H,10-12H2,(H,21,22)/b20-16-
InChIKeyQKAULQAJBNNKTI-SILNSSARSA-N
XLogP3.44
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.44
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]cyclopropanecarboxamide?
The IUPAC name of N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]cyclopropanecarboxamide (CID 6112530) is N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]cyclopropanecarboxamide?
The canonical SMILES for N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]cyclopropanecarboxamide is O=C(N/N=C1/CC(c2ccccc2)Oc2ccccc21)C1CC1.
What is the InChIKey of N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]cyclopropanecarboxamide?
The InChIKey is QKAULQAJBNNKTI-SILNSSARSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-19(14-10-11-14)21-20-16-12-18(13-6-2-1-3-7-13)23-17-9-5-4-8-15(16)17/h1-9,14,18H,10-12H2,(H,21,22)/b20-16-.
What are the key properties of N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]cyclopropanecarboxamide?
N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]cyclopropanecarboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]cyclopropanecarboxamide is sourced from PubChem (CID 6112530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).