phenyl (NZ)-N-[1-(dimethylamino)ethylidene]carbamate

C11H14N2O2 — CID 142348507

IUPACphenyl (NZ)-N-[1-(dimethylamino)ethylidene]carbamate
SMILESC/C(=N/C(=O)Oc1ccccc1)N(C)C
InChIInChI=1S/C11H14N2O2/c1-9(13(2)3)12-11(14)15-10-7-5-4-6-8-10/h4-8H,1-3H3/b12-9-
InChIKeyYEDMYUKSWYDHHQ-XFXZXTDPSA-N
MW206.25 g/mol
LogP2.17
Rot. Bonds1

About phenyl (NZ)-N-[1-(dimethylamino)ethylidene]carbamate

phenyl (NZ)-N-[1-(dimethylamino)ethylidene]carbamate (PubChem CID 142348507) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is phenyl (NZ)-N-[1-(dimethylamino)ethylidene]carbamate.

Molecular Properties

Compound Namephenyl (NZ)-N-[1-(dimethylamino)ethylidene]carbamate
PubChem CID142348507
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Namephenyl (NZ)-N-[1-(dimethylamino)ethylidene]carbamate
SMILESC/C(=N/C(=O)Oc1ccccc1)N(C)C
InChIInChI=1S/C11H14N2O2/c1-9(13(2)3)12-11(14)15-10-7-5-4-6-8-10/h4-8H,1-3H3/b12-9-
InChIKeyYEDMYUKSWYDHHQ-XFXZXTDPSA-N
XLogP2.17
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl (NZ)-N-[1-(dimethylamino)ethylidene]carbamate?
The IUPAC name of phenyl (NZ)-N-[1-(dimethylamino)ethylidene]carbamate (CID 142348507) is phenyl (NZ)-N-[1-(dimethylamino)ethylidene]carbamate.
What is the SMILES notation for phenyl (NZ)-N-[1-(dimethylamino)ethylidene]carbamate?
The canonical SMILES for phenyl (NZ)-N-[1-(dimethylamino)ethylidene]carbamate is C/C(=N/C(=O)Oc1ccccc1)N(C)C.
What is the InChIKey of phenyl (NZ)-N-[1-(dimethylamino)ethylidene]carbamate?
The InChIKey is YEDMYUKSWYDHHQ-XFXZXTDPSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-9(13(2)3)12-11(14)15-10-7-5-4-6-8-10/h4-8H,1-3H3/b12-9-.
What are the key properties of phenyl (NZ)-N-[1-(dimethylamino)ethylidene]carbamate?
phenyl (NZ)-N-[1-(dimethylamino)ethylidene]carbamate has a molecular weight of 206.25 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (NZ)-N-[1-(dimethylamino)ethylidene]carbamate is sourced from PubChem (CID 142348507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).