N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide

C14H25N3O2 — CID 55101494

IUPACN-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCCC(C/C(N)=N/O)NC(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H25N3O2/c1-2-12(8-13(15)17-19)16-14(18)7-11-6-9-3-4-10(11)5-9/h9-12,19H,2-8H2,1H3,(H2,15,17)(H,16,18)
InChIKeyHRUPNIIVOZRMSR-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.84
Rot. Bonds6

About N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide

N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide (PubChem CID 55101494) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide.

Molecular Properties

Compound NameN-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
PubChem CID55101494
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCCC(C/C(N)=N/O)NC(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H25N3O2/c1-2-12(8-13(15)17-19)16-14(18)7-11-6-9-3-4-10(11)5-9/h9-12,19H,2-8H2,1H3,(H2,15,17)(H,16,18)
InChIKeyHRUPNIIVOZRMSR-UHFFFAOYSA-N
XLogP1.84
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
The IUPAC name of N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide (CID 55101494) is N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide.
What is the SMILES notation for N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
The canonical SMILES for N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide is CCC(C/C(N)=N/O)NC(=O)CC1CC2CCC1C2.
What is the InChIKey of N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
The InChIKey is HRUPNIIVOZRMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-2-12(8-13(15)17-19)16-14(18)7-11-6-9-3-4-10(11)5-9/h9-12,19H,2-8H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide has a molecular weight of 267.37 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide is sourced from PubChem (CID 55101494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).