N-(1-bicyclo[2.2.1]heptanylmethyl)prop-2-enamide

C11H17NO — CID 57173722

IUPACN-(1-bicyclo[2.2.1]heptanylmethyl)prop-2-enamide
SMILESC=CC(=O)NCC12CCC(CC1)C2
InChIInChI=1S/C11H17NO/c1-2-10(13)12-8-11-5-3-9(7-11)4-6-11/h2,9H,1,3-8H2,(H,12,13)
InChIKeyZQXPCCAJVPLEEJ-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.87
Rot. Bonds3

About N-(1-bicyclo[2.2.1]heptanylmethyl)prop-2-enamide

N-(1-bicyclo[2.2.1]heptanylmethyl)prop-2-enamide (PubChem CID 57173722) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-(1-bicyclo[2.2.1]heptanylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(1-bicyclo[2.2.1]heptanylmethyl)prop-2-enamide
PubChem CID57173722
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-(1-bicyclo[2.2.1]heptanylmethyl)prop-2-enamide
SMILESC=CC(=O)NCC12CCC(CC1)C2
InChIInChI=1S/C11H17NO/c1-2-10(13)12-8-11-5-3-9(7-11)4-6-11/h2,9H,1,3-8H2,(H,12,13)
InChIKeyZQXPCCAJVPLEEJ-UHFFFAOYSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-bicyclo[2.2.1]heptanylmethyl)prop-2-enamide?
The IUPAC name of N-(1-bicyclo[2.2.1]heptanylmethyl)prop-2-enamide (CID 57173722) is N-(1-bicyclo[2.2.1]heptanylmethyl)prop-2-enamide.
What is the SMILES notation for N-(1-bicyclo[2.2.1]heptanylmethyl)prop-2-enamide?
The canonical SMILES for N-(1-bicyclo[2.2.1]heptanylmethyl)prop-2-enamide is C=CC(=O)NCC12CCC(CC1)C2.
What is the InChIKey of N-(1-bicyclo[2.2.1]heptanylmethyl)prop-2-enamide?
The InChIKey is ZQXPCCAJVPLEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-10(13)12-8-11-5-3-9(7-11)4-6-11/h2,9H,1,3-8H2,(H,12,13).
What are the key properties of N-(1-bicyclo[2.2.1]heptanylmethyl)prop-2-enamide?
N-(1-bicyclo[2.2.1]heptanylmethyl)prop-2-enamide has a molecular weight of 179.26 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bicyclo[2.2.1]heptanylmethyl)prop-2-enamide is sourced from PubChem (CID 57173722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).