(5Z)-N-tert-butyl-5-[(tert-butylamino)-hydroxymethylidene]cyclopenta-1,3-diene-1-carboxamide

C15H24N2O2 — CID 15465317

IUPAC(5Z)-N-tert-butyl-5-[(tert-butylamino)-hydroxymethylidene]cyclopenta-1,3-diene-1-carboxamide
SMILESCC(C)(C)NC(=O)C1=CC=C/C1=C(/O)NC(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-14(2,3)16-12(18)10-8-7-9-11(10)13(19)17-15(4,5)6/h7-9,16,18H,1-6H3,(H,17,19)/b12-10-
InChIKeyWUUGWSYIQYNKPN-BENRWUELSA-N
MW264.37 g/mol
LogP2.56
Rot. Bonds2

About (5Z)-N-tert-butyl-5-[(tert-butylamino)-hydroxymethylidene]cyclopenta-1,3-diene-1-carboxamide

(5Z)-N-tert-butyl-5-[(tert-butylamino)-hydroxymethylidene]cyclopenta-1,3-diene-1-carboxamide (PubChem CID 15465317) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (5Z)-N-tert-butyl-5-[(tert-butylamino)-hydroxymethylidene]cyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name(5Z)-N-tert-butyl-5-[(tert-butylamino)-hydroxymethylidene]cyclopenta-1,3-diene-1-carboxamide
PubChem CID15465317
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(5Z)-N-tert-butyl-5-[(tert-butylamino)-hydroxymethylidene]cyclopenta-1,3-diene-1-carboxamide
SMILESCC(C)(C)NC(=O)C1=CC=C/C1=C(/O)NC(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-14(2,3)16-12(18)10-8-7-9-11(10)13(19)17-15(4,5)6/h7-9,16,18H,1-6H3,(H,17,19)/b12-10-
InChIKeyWUUGWSYIQYNKPN-BENRWUELSA-N
XLogP2.56
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-N-tert-butyl-5-[(tert-butylamino)-hydroxymethylidene]cyclopenta-1,3-diene-1-carboxamide?
The IUPAC name of (5Z)-N-tert-butyl-5-[(tert-butylamino)-hydroxymethylidene]cyclopenta-1,3-diene-1-carboxamide (CID 15465317) is (5Z)-N-tert-butyl-5-[(tert-butylamino)-hydroxymethylidene]cyclopenta-1,3-diene-1-carboxamide.
What is the SMILES notation for (5Z)-N-tert-butyl-5-[(tert-butylamino)-hydroxymethylidene]cyclopenta-1,3-diene-1-carboxamide?
The canonical SMILES for (5Z)-N-tert-butyl-5-[(tert-butylamino)-hydroxymethylidene]cyclopenta-1,3-diene-1-carboxamide is CC(C)(C)NC(=O)C1=CC=C/C1=C(/O)NC(C)(C)C.
What is the InChIKey of (5Z)-N-tert-butyl-5-[(tert-butylamino)-hydroxymethylidene]cyclopenta-1,3-diene-1-carboxamide?
The InChIKey is WUUGWSYIQYNKPN-BENRWUELSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-14(2,3)16-12(18)10-8-7-9-11(10)13(19)17-15(4,5)6/h7-9,16,18H,1-6H3,(H,17,19)/b12-10-.
What are the key properties of (5Z)-N-tert-butyl-5-[(tert-butylamino)-hydroxymethylidene]cyclopenta-1,3-diene-1-carboxamide?
(5Z)-N-tert-butyl-5-[(tert-butylamino)-hydroxymethylidene]cyclopenta-1,3-diene-1-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 2.56, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-N-tert-butyl-5-[(tert-butylamino)-hydroxymethylidene]cyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 15465317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).