N-[(Z)-3-iminobut-1-enyl]-N-propan-2-ylacetamide

C9H16N2O — CID 167146385

IUPACN-[(Z)-3-iminobut-1-enyl]-N-propan-2-ylacetamide
SMILES[H]/N=C(C)/C=C\N(C(C)=O)C(C)C
InChIInChI=1S/C9H16N2O/c1-7(2)11(9(4)12)6-5-8(3)10/h5-7,10H,1-4H3/b6-5-,10-8+
InChIKeyNMRJBPANZWAGSC-UGXDAERVSA-N
MW168.24 g/mol
LogP1.80
Rot. Bonds3

About N-[(Z)-3-iminobut-1-enyl]-N-propan-2-ylacetamide

N-[(Z)-3-iminobut-1-enyl]-N-propan-2-ylacetamide (PubChem CID 167146385) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-[(Z)-3-iminobut-1-enyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-3-iminobut-1-enyl]-N-propan-2-ylacetamide
PubChem CID167146385
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-[(Z)-3-iminobut-1-enyl]-N-propan-2-ylacetamide
SMILES[H]/N=C(C)/C=C\N(C(C)=O)C(C)C
InChIInChI=1S/C9H16N2O/c1-7(2)11(9(4)12)6-5-8(3)10/h5-7,10H,1-4H3/b6-5-,10-8+
InChIKeyNMRJBPANZWAGSC-UGXDAERVSA-N
XLogP1.80
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-iminobut-1-enyl]-N-propan-2-ylacetamide?
The IUPAC name of N-[(Z)-3-iminobut-1-enyl]-N-propan-2-ylacetamide (CID 167146385) is N-[(Z)-3-iminobut-1-enyl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-[(Z)-3-iminobut-1-enyl]-N-propan-2-ylacetamide?
The canonical SMILES for N-[(Z)-3-iminobut-1-enyl]-N-propan-2-ylacetamide is [H]/N=C(C)/C=C\N(C(C)=O)C(C)C.
What is the InChIKey of N-[(Z)-3-iminobut-1-enyl]-N-propan-2-ylacetamide?
The InChIKey is NMRJBPANZWAGSC-UGXDAERVSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(2)11(9(4)12)6-5-8(3)10/h5-7,10H,1-4H3/b6-5-,10-8+.
What are the key properties of N-[(Z)-3-iminobut-1-enyl]-N-propan-2-ylacetamide?
N-[(Z)-3-iminobut-1-enyl]-N-propan-2-ylacetamide has a molecular weight of 168.24 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-iminobut-1-enyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 167146385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).