(3R)-3-(propan-2-ylamino)-3,4-dihydro-2H-chromene-5-carboxamide

C13H18N2O2 — CID 10537661

IUPAC(3R)-3-(propan-2-ylamino)-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCC(C)N[C@H]1COc2cccc(C(N)=O)c2C1
InChIInChI=1S/C13H18N2O2/c1-8(2)15-9-6-11-10(13(14)16)4-3-5-12(11)17-7-9/h3-5,8-9,15H,6-7H2,1-2H3,(H2,14,16)/t9-/m1/s1
InChIKeyFVAVMEQKDWJQEM-SECBINFHSA-N
MW234.30 g/mol
LogP1.09
Rot. Bonds3

About (3R)-3-(propan-2-ylamino)-3,4-dihydro-2H-chromene-5-carboxamide

(3R)-3-(propan-2-ylamino)-3,4-dihydro-2H-chromene-5-carboxamide (PubChem CID 10537661) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (3R)-3-(propan-2-ylamino)-3,4-dihydro-2H-chromene-5-carboxamide.

Molecular Properties

Compound Name(3R)-3-(propan-2-ylamino)-3,4-dihydro-2H-chromene-5-carboxamide
PubChem CID10537661
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(3R)-3-(propan-2-ylamino)-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCC(C)N[C@H]1COc2cccc(C(N)=O)c2C1
InChIInChI=1S/C13H18N2O2/c1-8(2)15-9-6-11-10(13(14)16)4-3-5-12(11)17-7-9/h3-5,8-9,15H,6-7H2,1-2H3,(H2,14,16)/t9-/m1/s1
InChIKeyFVAVMEQKDWJQEM-SECBINFHSA-N
XLogP1.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(propan-2-ylamino)-3,4-dihydro-2H-chromene-5-carboxamide?
The IUPAC name of (3R)-3-(propan-2-ylamino)-3,4-dihydro-2H-chromene-5-carboxamide (CID 10537661) is (3R)-3-(propan-2-ylamino)-3,4-dihydro-2H-chromene-5-carboxamide.
What is the SMILES notation for (3R)-3-(propan-2-ylamino)-3,4-dihydro-2H-chromene-5-carboxamide?
The canonical SMILES for (3R)-3-(propan-2-ylamino)-3,4-dihydro-2H-chromene-5-carboxamide is CC(C)N[C@H]1COc2cccc(C(N)=O)c2C1.
What is the InChIKey of (3R)-3-(propan-2-ylamino)-3,4-dihydro-2H-chromene-5-carboxamide?
The InChIKey is FVAVMEQKDWJQEM-SECBINFHSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8(2)15-9-6-11-10(13(14)16)4-3-5-12(11)17-7-9/h3-5,8-9,15H,6-7H2,1-2H3,(H2,14,16)/t9-/m1/s1.
What are the key properties of (3R)-3-(propan-2-ylamino)-3,4-dihydro-2H-chromene-5-carboxamide?
(3R)-3-(propan-2-ylamino)-3,4-dihydro-2H-chromene-5-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(propan-2-ylamino)-3,4-dihydro-2H-chromene-5-carboxamide is sourced from PubChem (CID 10537661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).