N-[(2S)-1-hydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

C14H15NO2 — CID 141293113

IUPACN-[(2S)-1-hydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCC[C@@H](CO)NC(=O)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C14H15NO2/c1-2-9(7-16)15-14(17)11-4-3-10-12-5-8(12)6-13(10)11/h3-4,6,9,16H,2,5,7H2,1H3,(H,15,17)/t9-/m0/s1
InChIKeyNPNHGMYRTORHJY-VIFPVBQESA-N
MW229.28 g/mol
LogP1.38
Rot. Bonds4

About N-[(2S)-1-hydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

N-[(2S)-1-hydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141293113) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141293113
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCC[C@@H](CO)NC(=O)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C14H15NO2/c1-2-9(7-16)15-14(17)11-4-3-10-12-5-8(12)6-13(10)11/h3-4,6,9,16H,2,5,7H2,1H3,(H,15,17)/t9-/m0/s1
InChIKeyNPNHGMYRTORHJY-VIFPVBQESA-N
XLogP1.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141293113) is N-[(2S)-1-hydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is CC[C@@H](CO)NC(=O)C1=C2C=C3CC3=C2C=C1.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is NPNHGMYRTORHJY-VIFPVBQESA-N. The full InChI is InChI=1S/C14H15NO2/c1-2-9(7-16)15-14(17)11-4-3-10-12-5-8(12)6-13(10)11/h3-4,6,9,16H,2,5,7H2,1H3,(H,15,17)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-[(2S)-1-hydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxybutan-2-yl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141293113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).