N-[1-(hydroxymethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

C14H13NO2 — CID 141292993

IUPACN-[1-(hydroxymethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESO=C(NC1(CO)CC1)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C14H13NO2/c16-7-14(3-4-14)15-13(17)10-2-1-9-11-5-8(11)6-12(9)10/h1-2,6,16H,3-5,7H2,(H,15,17)
InChIKeySAKMICNZEUXCCS-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.13
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

N-[1-(hydroxymethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141292993) 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-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141292993
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC NameN-[1-(hydroxymethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESO=C(NC1(CO)CC1)C1=C2C=C3CC3=C2C=C1
InChIInChI=1S/C14H13NO2/c16-7-14(3-4-14)15-13(17)10-2-1-9-11-5-8(11)6-12(9)10/h1-2,6,16H,3-5,7H2,(H,15,17)
InChIKeySAKMICNZEUXCCS-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 141293201
CID 141293201
CID 140307376
CID 140307376
CID 141292832
CID 141292832
CID 141292843
CID 141292843
CID 141292898
CID 141292898
CID 141292942
CID 141292942
CID 141292951
CID 141292951
CID 141292954
CID 141292954
CID 141293036
CID 141293036
CID 141293060
CID 141293060
CID 141293113
CID 141293113
CID 141349639
CID 141349639

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141292993) is N-[1-(hydroxymethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is O=C(NC1(CO)CC1)C1=C2C=C3CC3=C2C=C1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is SAKMICNZEUXCCS-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/h1-2,6,16H,3-5,7H2,(H,15,17).
What are the key properties of N-[1-(hydroxymethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-[1-(hydroxymethyl)cyclopropyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 227.26 g/mol, XLogP of 1.13, 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-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141292993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).