N-[(5E)-5-amino-5-hydroxyiminopentyl]-2,3-dihydro-1H-indene-2-carboxamide

C15H21N3O2 — CID 106894046

IUPACN-[(5E)-5-amino-5-hydroxyiminopentyl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESN/C(CCCCNC(=O)C1Cc2ccccc2C1)=N/O
InChIInChI=1S/C15H21N3O2/c16-14(18-20)7-3-4-8-17-15(19)13-9-11-5-1-2-6-12(11)10-13/h1-2,5-6,13,20H,3-4,7-10H2,(H2,16,18)(H,17,19)
InChIKeyKZXSMBJUKLMLPG-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.43
Rot. Bonds6

About N-[(5E)-5-amino-5-hydroxyiminopentyl]-2,3-dihydro-1H-indene-2-carboxamide

N-[(5E)-5-amino-5-hydroxyiminopentyl]-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 106894046) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(5E)-5-amino-5-hydroxyiminopentyl]-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-[(5E)-5-amino-5-hydroxyiminopentyl]-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID106894046
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[(5E)-5-amino-5-hydroxyiminopentyl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESN/C(CCCCNC(=O)C1Cc2ccccc2C1)=N/O
InChIInChI=1S/C15H21N3O2/c16-14(18-20)7-3-4-8-17-15(19)13-9-11-5-1-2-6-12(11)10-13/h1-2,5-6,13,20H,3-4,7-10H2,(H2,16,18)(H,17,19)
InChIKeyKZXSMBJUKLMLPG-UHFFFAOYSA-N
XLogP1.43
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(5E)-5-amino-5-hydroxyiminopentyl]-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-[(5E)-5-amino-5-hydroxyiminopentyl]-2,3-dihydro-1H-indene-2-carboxamide (CID 106894046) is N-[(5E)-5-amino-5-hydroxyiminopentyl]-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-[(5E)-5-amino-5-hydroxyiminopentyl]-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-[(5E)-5-amino-5-hydroxyiminopentyl]-2,3-dihydro-1H-indene-2-carboxamide is N/C(CCCCNC(=O)C1Cc2ccccc2C1)=N/O.
What is the InChIKey of N-[(5E)-5-amino-5-hydroxyiminopentyl]-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is KZXSMBJUKLMLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-14(18-20)7-3-4-8-17-15(19)13-9-11-5-1-2-6-12(11)10-13/h1-2,5-6,13,20H,3-4,7-10H2,(H2,16,18)(H,17,19).
What are the key properties of N-[(5E)-5-amino-5-hydroxyiminopentyl]-2,3-dihydro-1H-indene-2-carboxamide?
N-[(5E)-5-amino-5-hydroxyiminopentyl]-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5E)-5-amino-5-hydroxyiminopentyl]-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 106894046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).