cis-(1S,2R)-2-cyclopropyl-N-(1,2-dihydroacenaphthylen-5-yl)cyclopropane-1-carboxamide

C19H19NO — CID 97079662

IUPACcis-(1S,2R)-2-cyclopropyl-N-(1,2-dihydroacenaphthylen-5-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2c3c(cccc13)CC2)[C@H]1C[C@@H]1C1CC1
InChIInChI=1S/C19H19NO/c21-19(16-10-15(16)11-4-5-11)20-17-9-8-13-7-6-12-2-1-3-14(17)18(12)13/h1-3,8-9,11,15-16H,4-7,10H2,(H,20,21)/t15-,16+/m1/s1
InChIKeyYQLYYWPQTOHMDG-CVEARBPZSA-N
MW277.37 g/mol
LogP3.92
Rot. Bonds3

About cis-(1S,2R)-2-cyclopropyl-N-(1,2-dihydroacenaphthylen-5-yl)cyclopropane-1-carboxamide

cis-(1S,2R)-2-cyclopropyl-N-(1,2-dihydroacenaphthylen-5-yl)cyclopropane-1-carboxamide (PubChem CID 97079662) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is cis-(1S,2R)-2-cyclopropyl-N-(1,2-dihydroacenaphthylen-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-cyclopropyl-N-(1,2-dihydroacenaphthylen-5-yl)cyclopropane-1-carboxamide
PubChem CID97079662
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Namecis-(1S,2R)-2-cyclopropyl-N-(1,2-dihydroacenaphthylen-5-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2c3c(cccc13)CC2)[C@H]1C[C@@H]1C1CC1
InChIInChI=1S/C19H19NO/c21-19(16-10-15(16)11-4-5-11)20-17-9-8-13-7-6-12-2-1-3-14(17)18(12)13/h1-3,8-9,11,15-16H,4-7,10H2,(H,20,21)/t15-,16+/m1/s1
InChIKeyYQLYYWPQTOHMDG-CVEARBPZSA-N
XLogP3.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-cyclopropyl-N-(1,2-dihydroacenaphthylen-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-cyclopropyl-N-(1,2-dihydroacenaphthylen-5-yl)cyclopropane-1-carboxamide (CID 97079662) is cis-(1S,2R)-2-cyclopropyl-N-(1,2-dihydroacenaphthylen-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-cyclopropyl-N-(1,2-dihydroacenaphthylen-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-cyclopropyl-N-(1,2-dihydroacenaphthylen-5-yl)cyclopropane-1-carboxamide is O=C(Nc1ccc2c3c(cccc13)CC2)[C@H]1C[C@@H]1C1CC1.
What is the InChIKey of cis-(1S,2R)-2-cyclopropyl-N-(1,2-dihydroacenaphthylen-5-yl)cyclopropane-1-carboxamide?
The InChIKey is YQLYYWPQTOHMDG-CVEARBPZSA-N. The full InChI is InChI=1S/C19H19NO/c21-19(16-10-15(16)11-4-5-11)20-17-9-8-13-7-6-12-2-1-3-14(17)18(12)13/h1-3,8-9,11,15-16H,4-7,10H2,(H,20,21)/t15-,16+/m1/s1.
What are the key properties of cis-(1S,2R)-2-cyclopropyl-N-(1,2-dihydroacenaphthylen-5-yl)cyclopropane-1-carboxamide?
cis-(1S,2R)-2-cyclopropyl-N-(1,2-dihydroacenaphthylen-5-yl)cyclopropane-1-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-cyclopropyl-N-(1,2-dihydroacenaphthylen-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 97079662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).