N-[[(2S)-2-phenylmethoxypropylidene]amino]formamide

C11H14N2O2 — CID 54011714

IUPACN-[[(2S)-2-phenylmethoxypropylidene]amino]formamide
SMILESC[C@@H](C=NNC=O)OCc1ccccc1
InChIInChI=1S/C11H14N2O2/c1-10(7-12-13-9-14)15-8-11-5-3-2-4-6-11/h2-7,9-10H,8H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyKSVAVOFBEXSSNM-JTQLQIEISA-N
MW206.25 g/mol
LogP1.32
Rot. Bonds6

About N-[[(2S)-2-phenylmethoxypropylidene]amino]formamide

N-[[(2S)-2-phenylmethoxypropylidene]amino]formamide (PubChem CID 54011714) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is N-[[(2S)-2-phenylmethoxypropylidene]amino]formamide.

Molecular Properties

Compound NameN-[[(2S)-2-phenylmethoxypropylidene]amino]formamide
PubChem CID54011714
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC NameN-[[(2S)-2-phenylmethoxypropylidene]amino]formamide
SMILESC[C@@H](C=NNC=O)OCc1ccccc1
InChIInChI=1S/C11H14N2O2/c1-10(7-12-13-9-14)15-8-11-5-3-2-4-6-11/h2-7,9-10H,8H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyKSVAVOFBEXSSNM-JTQLQIEISA-N
XLogP1.32
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-[[(2S)-2-phenylmethoxypropylidene]amino]formamide?
The IUPAC name of N-[[(2S)-2-phenylmethoxypropylidene]amino]formamide (CID 54011714) is N-[[(2S)-2-phenylmethoxypropylidene]amino]formamide.
What is the SMILES notation for N-[[(2S)-2-phenylmethoxypropylidene]amino]formamide?
The canonical SMILES for N-[[(2S)-2-phenylmethoxypropylidene]amino]formamide is C[C@@H](C=NNC=O)OCc1ccccc1.
What is the InChIKey of N-[[(2S)-2-phenylmethoxypropylidene]amino]formamide?
The InChIKey is KSVAVOFBEXSSNM-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14N2O2/c1-10(7-12-13-9-14)15-8-11-5-3-2-4-6-11/h2-7,9-10H,8H2,1H3,(H,13,14)/t10-/m0/s1.
What are the key properties of N-[[(2S)-2-phenylmethoxypropylidene]amino]formamide?
N-[[(2S)-2-phenylmethoxypropylidene]amino]formamide has a molecular weight of 206.25 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-2-phenylmethoxypropylidene]amino]formamide is sourced from PubChem (CID 54011714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).