benzylcarbamoyl(prop-2-enyl)azanium

C11H15N2O+ — CID 143461781

IUPACbenzylcarbamoyl(prop-2-enyl)azanium
SMILESC=CC[NH2+]C(=O)NCc1ccccc1
InChIInChI=1S/C11H14N2O/c1-2-8-12-11(14)13-9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H2,12,13,14)/p+1
InChIKeyLZMQZMPFZNZBMK-UHFFFAOYSA-O
MW191.25 g/mol
LogP0.65
Rot. Bonds4

About benzylcarbamoyl(prop-2-enyl)azanium

benzylcarbamoyl(prop-2-enyl)azanium (PubChem CID 143461781) has the molecular formula C11H15N2O+ and a molecular weight of 191.25 g/mol. Its IUPAC name is benzylcarbamoyl(prop-2-enyl)azanium.

Molecular Properties

Compound Namebenzylcarbamoyl(prop-2-enyl)azanium
PubChem CID143461781
Molecular FormulaC11H15N2O+
Molecular Weight191.25 g/mol
Exact Mass191.12
IUPAC Namebenzylcarbamoyl(prop-2-enyl)azanium
SMILESC=CC[NH2+]C(=O)NCc1ccccc1
InChIInChI=1S/C11H14N2O/c1-2-8-12-11(14)13-9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H2,12,13,14)/p+1
InChIKeyLZMQZMPFZNZBMK-UHFFFAOYSA-O
XLogP0.65
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-benzyl-1-prop-2-enylurea
CID 57428112
(2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide
CID 102438932
2-(benzylamino)-N-prop-2-enylacetamide
CID 11160015
N-benzyl-2-cyanopent-4-enamide
CID 70405767
benzene;benzylurea;hydrazine
CID 68793593
3-benzyl-1,1-bis(prop-2-enyl)thiourea
CID 19653097
(2R)-N-benzyl-2-[(S)-hydroxy(phenyl)methyl]pent-4-enamide
CID 177415475
but-3-en-2-yl N-benzylcarbamate
CID 130012657
N'-benzyloxamide
CID 561416
6-(benzylamino)-6-oxohexanoic acid
CID 43529432
cis-(2S,3R)-N-benzyl-2,3-diphenylcyclopropane-1-carboxamide
CID 101216317
N-benzyl-2-[4-[2-(benzylamino)-2-oxoethylidene]-1,3-dithietan-2-ylidene]acetamide
CID 12680451

Frequently Asked Questions

What is the IUPAC name of benzylcarbamoyl(prop-2-enyl)azanium?
The IUPAC name of benzylcarbamoyl(prop-2-enyl)azanium (CID 143461781) is benzylcarbamoyl(prop-2-enyl)azanium.
What is the SMILES notation for benzylcarbamoyl(prop-2-enyl)azanium?
The canonical SMILES for benzylcarbamoyl(prop-2-enyl)azanium is C=CC[NH2+]C(=O)NCc1ccccc1.
What is the InChIKey of benzylcarbamoyl(prop-2-enyl)azanium?
The InChIKey is LZMQZMPFZNZBMK-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H14N2O/c1-2-8-12-11(14)13-9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H2,12,13,14)/p+1.
What are the key properties of benzylcarbamoyl(prop-2-enyl)azanium?
benzylcarbamoyl(prop-2-enyl)azanium has a molecular weight of 191.25 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzylcarbamoyl(prop-2-enyl)azanium is sourced from PubChem (CID 143461781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).