N-[(E)-2-[(E)-2-(methylamino)prop-1-enyl]pent-2-enyl]formamide

C10H18N2O — CID 175624004

IUPACN-[(E)-2-[(E)-2-(methylamino)prop-1-enyl]pent-2-enyl]formamide
SMILESCC/C=C(\C=C(/C)NC)CNC=O
InChIInChI=1S/C10H18N2O/c1-4-5-10(7-12-8-13)6-9(2)11-3/h5-6,8,11H,4,7H2,1-3H3,(H,12,13)/b9-6+,10-5+
InChIKeyJZELANHDCCDYDR-TXFIJWAUSA-N
MW182.27 g/mol
LogP1.19
Rot. Bonds6

About N-[(E)-2-[(E)-2-(methylamino)prop-1-enyl]pent-2-enyl]formamide

N-[(E)-2-[(E)-2-(methylamino)prop-1-enyl]pent-2-enyl]formamide (PubChem CID 175624004) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[(E)-2-[(E)-2-(methylamino)prop-1-enyl]pent-2-enyl]formamide.

Molecular Properties

Compound NameN-[(E)-2-[(E)-2-(methylamino)prop-1-enyl]pent-2-enyl]formamide
PubChem CID175624004
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-[(E)-2-[(E)-2-(methylamino)prop-1-enyl]pent-2-enyl]formamide
SMILESCC/C=C(\C=C(/C)NC)CNC=O
InChIInChI=1S/C10H18N2O/c1-4-5-10(7-12-8-13)6-9(2)11-3/h5-6,8,11H,4,7H2,1-3H3,(H,12,13)/b9-6+,10-5+
InChIKeyJZELANHDCCDYDR-TXFIJWAUSA-N
XLogP1.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-[(E)-2-(methylamino)prop-1-enyl]pent-2-enyl]formamide?
The IUPAC name of N-[(E)-2-[(E)-2-(methylamino)prop-1-enyl]pent-2-enyl]formamide (CID 175624004) is N-[(E)-2-[(E)-2-(methylamino)prop-1-enyl]pent-2-enyl]formamide.
What is the SMILES notation for N-[(E)-2-[(E)-2-(methylamino)prop-1-enyl]pent-2-enyl]formamide?
The canonical SMILES for N-[(E)-2-[(E)-2-(methylamino)prop-1-enyl]pent-2-enyl]formamide is CC/C=C(\C=C(/C)NC)CNC=O.
What is the InChIKey of N-[(E)-2-[(E)-2-(methylamino)prop-1-enyl]pent-2-enyl]formamide?
The InChIKey is JZELANHDCCDYDR-TXFIJWAUSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-5-10(7-12-8-13)6-9(2)11-3/h5-6,8,11H,4,7H2,1-3H3,(H,12,13)/b9-6+,10-5+.
What are the key properties of N-[(E)-2-[(E)-2-(methylamino)prop-1-enyl]pent-2-enyl]formamide?
N-[(E)-2-[(E)-2-(methylamino)prop-1-enyl]pent-2-enyl]formamide has a molecular weight of 182.27 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-[(E)-2-(methylamino)prop-1-enyl]pent-2-enyl]formamide is sourced from PubChem (CID 175624004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).