N-[(E)-pent-2-enyl]prop-2-enamide

C8H13NO — CID 131241342

IUPACN-[(E)-pent-2-enyl]prop-2-enamide
SMILESC=CC(=O)NC/C=C/CC
InChIInChI=1S/C8H13NO/c1-3-5-6-7-9-8(10)4-2/h4-6H,2-3,7H2,1H3,(H,9,10)/b6-5+
InChIKeyPCOMDUCHRAECBC-AATRIKPKSA-N
MW139.20 g/mol
LogP1.25
Rot. Bonds4

About N-[(E)-pent-2-enyl]prop-2-enamide

N-[(E)-pent-2-enyl]prop-2-enamide (PubChem CID 131241342) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-[(E)-pent-2-enyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(E)-pent-2-enyl]prop-2-enamide
PubChem CID131241342
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-[(E)-pent-2-enyl]prop-2-enamide
SMILESC=CC(=O)NC/C=C/CC
InChIInChI=1S/C8H13NO/c1-3-5-6-7-9-8(10)4-2/h4-6H,2-3,7H2,1H3,(H,9,10)/b6-5+
InChIKeyPCOMDUCHRAECBC-AATRIKPKSA-N
XLogP1.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethane;N-prop-2-enylprop-2-enamide
CID 142535548
N-[[(E)-but-1-enoxy]methyl]prop-2-enamide
CID 23172057
N-nona-2,6-dienylacetamide
CID 73018180
ethenol;N-prop-2-enylprop-2-enamide
CID 88846304
N-ethylprop-2-enamide;N-methylmethanamine
CID 22381553
N-(3-cyclopropylprop-2-enyl)prop-2-enamide
CID 126806780
molecular hydrogen;N-propylprop-2-enamide
CID 153372503
CID 173161904
CID 173161904
but-1-ene;N-methylprop-2-enamide
CID 159446883
N-butylprop-2-enamide;hydrofluoride
CID 174533496
triethyl-[(prop-2-enoylamino)methyl]azanium
CID 87449059
N-(sulfanylmethyl)prop-2-enamide
CID 21197466

Frequently Asked Questions

What is the IUPAC name of N-[(E)-pent-2-enyl]prop-2-enamide?
The IUPAC name of N-[(E)-pent-2-enyl]prop-2-enamide (CID 131241342) is N-[(E)-pent-2-enyl]prop-2-enamide.
What is the SMILES notation for N-[(E)-pent-2-enyl]prop-2-enamide?
The canonical SMILES for N-[(E)-pent-2-enyl]prop-2-enamide is C=CC(=O)NC/C=C/CC.
What is the InChIKey of N-[(E)-pent-2-enyl]prop-2-enamide?
The InChIKey is PCOMDUCHRAECBC-AATRIKPKSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-5-6-7-9-8(10)4-2/h4-6H,2-3,7H2,1H3,(H,9,10)/b6-5+.
What are the key properties of N-[(E)-pent-2-enyl]prop-2-enamide?
N-[(E)-pent-2-enyl]prop-2-enamide has a molecular weight of 139.20 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pent-2-enyl]prop-2-enamide is sourced from PubChem (CID 131241342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).