N-(1,2-dihydroacenaphthylen-1-ylmethyl)cyclopropanecarboxamide

C17H17NO — CID 10753255

IUPACN-(1,2-dihydroacenaphthylen-1-ylmethyl)cyclopropanecarboxamide
SMILESO=C(NCC1Cc2cccc3cccc1c23)C1CC1
InChIInChI=1S/C17H17NO/c19-17(12-7-8-12)18-10-14-9-13-5-1-3-11-4-2-6-15(14)16(11)13/h1-6,12,14H,7-10H2,(H,18,19)
InChIKeyDWNXAHDCKSGQEP-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.01
Rot. Bonds3

About N-(1,2-dihydroacenaphthylen-1-ylmethyl)cyclopropanecarboxamide

N-(1,2-dihydroacenaphthylen-1-ylmethyl)cyclopropanecarboxamide (PubChem CID 10753255) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-1-ylmethyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-1-ylmethyl)cyclopropanecarboxamide
PubChem CID10753255
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC NameN-(1,2-dihydroacenaphthylen-1-ylmethyl)cyclopropanecarboxamide
SMILESO=C(NCC1Cc2cccc3cccc1c23)C1CC1
InChIInChI=1S/C17H17NO/c19-17(12-7-8-12)18-10-14-9-13-5-1-3-11-4-2-6-15(14)16(11)13/h1-6,12,14H,7-10H2,(H,18,19)
InChIKeyDWNXAHDCKSGQEP-UHFFFAOYSA-N
XLogP3.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroacenaphthylen-1-ylmethyl)cyclopropanecarboxamide?
The IUPAC name of N-(1,2-dihydroacenaphthylen-1-ylmethyl)cyclopropanecarboxamide (CID 10753255) is N-(1,2-dihydroacenaphthylen-1-ylmethyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-1-ylmethyl)cyclopropanecarboxamide?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-1-ylmethyl)cyclopropanecarboxamide is O=C(NCC1Cc2cccc3cccc1c23)C1CC1.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-1-ylmethyl)cyclopropanecarboxamide?
The InChIKey is DWNXAHDCKSGQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c19-17(12-7-8-12)18-10-14-9-13-5-1-3-11-4-2-6-15(14)16(11)13/h1-6,12,14H,7-10H2,(H,18,19).
What are the key properties of N-(1,2-dihydroacenaphthylen-1-ylmethyl)cyclopropanecarboxamide?
N-(1,2-dihydroacenaphthylen-1-ylmethyl)cyclopropanecarboxamide has a molecular weight of 251.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroacenaphthylen-1-ylmethyl)cyclopropanecarboxamide is sourced from PubChem (CID 10753255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).