(3Z)-3-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyiminopropanamide

C12H15N3O2 — CID 43156060

IUPAC(3Z)-3-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyiminopropanamide
SMILESN/C(CC(=O)Nc1ccc2c(c1)CCC2)=N\O
InChIInChI=1S/C12H15N3O2/c13-11(15-17)7-12(16)14-10-5-4-8-2-1-3-9(8)6-10/h4-6,17H,1-3,7H2,(H2,13,15)(H,14,16)
InChIKeyFJKJKDVCQUVXSG-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.25
Rot. Bonds3

About (3Z)-3-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyiminopropanamide

(3Z)-3-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyiminopropanamide (PubChem CID 43156060) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is (3Z)-3-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyiminopropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyiminopropanamide
PubChem CID43156060
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name(3Z)-3-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyiminopropanamide
SMILESN/C(CC(=O)Nc1ccc2c(c1)CCC2)=N\O
InChIInChI=1S/C12H15N3O2/c13-11(15-17)7-12(16)14-10-5-4-8-2-1-3-9(8)6-10/h4-6,17H,1-3,7H2,(H2,13,15)(H,14,16)
InChIKeyFJKJKDVCQUVXSG-UHFFFAOYSA-N
XLogP1.25
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.25
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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Related Compounds

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CID 77060779
2-N-(2,3-dihydro-1H-inden-5-yl)cyclobutane-1,2-dicarboxamide
CID 122134376
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
2-sulfanyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 115166897
7-amino-N-(2,3-dihydro-1H-inden-5-yl)heptanamide
CID 24700487
3-amino-N-(2,3-dihydro-1H-inden-5-yl)butanamide;hydrochloride
CID 119678186
3-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]-N-(4-bromophenyl)propanamide;hydroiodide
CID 111076898
2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 111089429
N-(2,3-dihydro-1H-inden-5-yl)-5-hydroxypentanamide
CID 79199175
N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylacetamide
CID 1429488
(3Z)-3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-hydroxyiminopropanamide
CID 43156032

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyiminopropanamide?
The IUPAC name of (3Z)-3-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyiminopropanamide (CID 43156060) is (3Z)-3-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyiminopropanamide.
What is the SMILES notation for (3Z)-3-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyiminopropanamide?
The canonical SMILES for (3Z)-3-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyiminopropanamide is N/C(CC(=O)Nc1ccc2c(c1)CCC2)=N\O.
What is the InChIKey of (3Z)-3-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyiminopropanamide?
The InChIKey is FJKJKDVCQUVXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c13-11(15-17)7-12(16)14-10-5-4-8-2-1-3-9(8)6-10/h4-6,17H,1-3,7H2,(H2,13,15)(H,14,16).
What are the key properties of (3Z)-3-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyiminopropanamide?
(3Z)-3-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyiminopropanamide has a molecular weight of 233.27 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyiminopropanamide is sourced from PubChem (CID 43156060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).