N-[1-(3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide

C14H17NO — CID 70236662

IUPACN-[1-(3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide
SMILESCC(=O)NC(C)=C1CCCc2ccccc21
InChIInChI=1S/C14H17NO/c1-10(15-11(2)16)13-9-5-7-12-6-3-4-8-14(12)13/h3-4,6,8H,5,7,9H2,1-2H3,(H,15,16)
InChIKeyCCKPZAUFCVLGNX-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.89
Rot. Bonds1

About N-[1-(3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide

N-[1-(3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide (PubChem CID 70236662) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is N-[1-(3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide
PubChem CID70236662
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC NameN-[1-(3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide
SMILESCC(=O)NC(C)=C1CCCc2ccccc21
InChIInChI=1S/C14H17NO/c1-10(15-11(2)16)13-9-5-7-12-6-3-4-8-14(12)13/h3-4,6,8H,5,7,9H2,1-2H3,(H,15,16)
InChIKeyCCKPZAUFCVLGNX-UHFFFAOYSA-N
XLogP2.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide?
The IUPAC name of N-[1-(3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide (CID 70236662) is N-[1-(3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide.
What is the SMILES notation for N-[1-(3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide?
The canonical SMILES for N-[1-(3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide is CC(=O)NC(C)=C1CCCc2ccccc21.
What is the InChIKey of N-[1-(3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide?
The InChIKey is CCKPZAUFCVLGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10(15-11(2)16)13-9-5-7-12-6-3-4-8-14(12)13/h3-4,6,8H,5,7,9H2,1-2H3,(H,15,16).
What are the key properties of N-[1-(3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide?
N-[1-(3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide has a molecular weight of 215.30 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide is sourced from PubChem (CID 70236662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).