N-[1-(hydroxymethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide

C14H13NO2 — CID 123870466

IUPACN-[1-(hydroxymethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
SMILESO=C(NC1(CO)CC1)C1=CC=C2C1=CC1=CC12
InChIInChI=1S/C14H13NO2/c16-7-14(3-4-14)15-13(17)10-2-1-9-11-5-8(11)6-12(9)10/h1-2,5-6,11,16H,3-4,7H2,(H,15,17)
InChIKeySJRLSSWGXQIPTC-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.99
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide

N-[1-(hydroxymethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide (PubChem CID 123870466) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
PubChem CID123870466
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC NameN-[1-(hydroxymethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
SMILESO=C(NC1(CO)CC1)C1=CC=C2C1=CC1=CC12
InChIInChI=1S/C14H13NO2/c16-7-14(3-4-14)15-13(17)10-2-1-9-11-5-8(11)6-12(9)10/h1-2,5-6,11,16H,3-4,7H2,(H,15,17)
InChIKeySJRLSSWGXQIPTC-UHFFFAOYSA-N
XLogP0.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide (CID 123870466) is N-[1-(hydroxymethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide is O=C(NC1(CO)CC1)C1=CC=C2C1=CC1=CC12.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The InChIKey is SJRLSSWGXQIPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c16-7-14(3-4-14)15-13(17)10-2-1-9-11-5-8(11)6-12(9)10/h1-2,5-6,11,16H,3-4,7H2,(H,15,17).
What are the key properties of N-[1-(hydroxymethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
N-[1-(hydroxymethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide has a molecular weight of 227.26 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide is sourced from PubChem (CID 123870466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).